Download Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)

04.12.03
PRODUCTION DU LABORATOIRE
(la mise à jour de la production globale du laboratoire est en cours)
Les groupes apparaissent dans cet ordre :
IPG, TESMAC, TEMIC, CTH, BIO + Thèmes Transversaux
Rappel des chapitres :
I.
II.
III.
IV.
Articles dans des revues à comite de lecture
Conference Proceedings
Conférences Internationales Invitées
Conférences Nationales Invitées
V.
VI.
VII.
VIII.
IX.
X.
Communications orales diverses (poster)
Livres et Chapitres de livres
Vulgarisation Scientifique
Cours
Thèses
Brevets
Equipe Biophysique
Thèmes Transversaux (récapitulatif)
1
I. ARTICLES DANS DES REVUES A COMITE DE LECTURE
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
1998
Bouchoux G., Alcaraz C., Dutuit O. & Nguyen Mint Tho. Unimolecular chemistry of
the gaseous cyclopropylamine radical cation, J. Am. Chem. Soc., 120, 152-160,
1998.
Boulanger F., Boissel P., Cesarsky D. & Ryter C. The shape of unidentified infrared
bands : analytical fit to ISOCAM spectra, Astronomy and Astrophysics, 339, 194,
1998.
Capron-Dukan L., Mestdagh H. & Rolando C. Gas-phase reactivity of ionic iron
complexes, comparison with solution chemistry, Coord. Chem. Rev., 178-180, 269330, 1998.
Gee C., Boissel P. & Ohanessian G. Metal-acetylene binding in WC2H2+, Chemical
Physics Letters, 298, 85, 1998.
Keister J. W., Baer T., Thissen R., Alcaraz C., Dutuit O., Audier H. & Troude V.
Proton tunneling in the loss of hydrogen bromide from energy-selected gas-phase 2bromobutane cations, J. Phys. Chem. A, 102, 1090-1097, 1998.
Kemper P.R., Weis P., Bowers M.T. & Maître P. Origin of bonding interactions in
Cu(H2)n+ clusters : an experimental and theoretical investigation, J. Am. Chem. Soc.,
120, 13494, 1998.
Lemaire J., Mouchère F., Heninger M., Fenistein S., Marx R. & Mauclaire G.
Radiative lifetime of CO+ (X2+, ) ions, Int. J. Mass Spectrom. and Ion Processes,
172, 129-135, 1998.
Moughamir K., Atmani A., Mestdagh H. & Rolando C. Activation of
tetrabutylammonium hydrogen difluoride with pyridine : a mild and efficient procedure
for nucleophilic fluorination, Tetrahedron Lett., 39, 7305-7306, 1998.
Nahon L., Lagarde B., Polack F., Alcaraz C., Dutuit O., Vervloet M. & Ito K.L. A new
VUV high resolution undulator-based beamline at super-ACO, Nuclear Instruments
and methods in Physics Research, A 404, 418-429, 1998.
Thissen R., Lablanquie P., Hall R.I., Ukai M. & Ito K. Photoionisation of Argon,
Krypton and Xenon homonuclear Clusters in the inner valence region, The European
Physical Journal D, 4, 335-342, 1998.
2
Thissen R., Mourgues P. & Audier H.E. Ionized 1,4-Dioxane : the structure of the
m/z 44 and m/z 45 fragment ions revisited, European Mass Spectrometry, 4, 79-81,
1998.
1999
Heninger M., Lemaire J., Fenistein S. & Marx R. Radiative lifetimes measurements
of the CO and CD stretching modes in DCO+, Int. J. Mass Spectrom., 185/186/187,
131-137, 1999.
Lemaire J., Heninger M., Marx R. & Mauclaire G. Excitation of C60+ by electrons in a
Fourier transform ion cyclotron resonance ion trap : an experimental determination of
the radiative cooling rate through its competition with C2 evaporation, Int. J. Mass
Spectrom., 189, 93-102, 1999.
Moughamir K., Mezgueldi B., Atmani A., Mestdagh H. & Rolando C. Direct
preparation of vinyl halides from the corresponding ketones and acetyl halides,
Tetrahedron Lett., 40, 59-62, 1999.
Parlant G. & Yarkony D.R. A theoretical analysis of the state-specific decomposition
of OH(A2 ', N', F1/F2 levels, including the effects of spin-orbit and Coriolis
interactions, J. Chem. Phys., 110, 363-376, 1999.
Thissen R, Alcaraz C, Dutuit O, Mourgues P, Chamot-Rooke J & Audier H.E. A
hidden hydrogen transfer in the unimolecular reaction of 1-2-dimethoxyethane+°, J.
Phys. Chem. A, 103, 5049-5054, 1999.
Thissen R., Audier H. E., Chamot-Rooke J. & Mourgues P. The C3H6O+° fragment
from 1,4-dioxane+° revisited, European Mass Spectrom., 5 (3), 147-150, 1999.
Thissen R., Dutuit O., Audier H.E. & Mourgues P. Insights into the C4H8+°potential
energy surface : FT-ICR studies of ion-molecule reactions of D-labelled partners, J.
Mass Spectrom., 34 (8), 850-855, 1999.
2000
Bram G., Golfier M. & Marx R. Un siècle de chimie physique 1903-1999 : Un peu
d'histoire, J. Chim. Phys., N° hors série (I-XVII), 2000.
Heninger M., Pernot P., Mestdagh H., Boissel P., Lemaire J., Marx R. & Mauclaire
G. Successive reactions of iron carbonyl cations with methanol, Int. J. Mass
Spectrom., 199, 267-285, 2000.
Mercier B., Compin M., Prevost C., Bellec G., Thissen R., Dutuit O. & Nahon L.
Experimental and theoretical study of a differentially-pumped absorption gas cell
used as a low energy-pass filter in the VUV photon energy range, J. Vac. Sci.
Technol., A 18 (5), 2533-2541, 2000.
3
Nahon L., Thissen R., Alcaraz C., Corlier M., Peaupardin P., Marteau F., Marcouillé
O. & Brunelle P. Commissioning of OPHELIE in the DC mode: an electromagnetic
planar/helical crossed VUV undulator at Super-ACO, Nucl. Instrum. Meth. Phys.
Res., A447, 569-586, 2000.
Thissen R., Alcaraz C., Palm H., Hepburn J., Vervloet M. & Dutuit O. Dissociative
Photoionization of C2H2-C2H4 and C2H2-C2H6 Van der Waals Complexes, Int. J. Mass
Spectrom., 199, 201-209, 2000.
Zabka J., Dutuit O., Dolejsek Z., Polách J. & Herman Z. Crossed Beam Study of the
Dynamics of C2H3+ Formation in Reaction of C2H2+ with Methane, Phys. Chem.
Chem. Phys., 2, 781, 2000.
2001
Nahon L., Alcaraz C., Marlats J.-L., Lagarde B., Polack F., Thissen R., Lepère D. &
Ito K. Very-high spectral resolution obtained with SU5 : a VUV undulator-based
beamline at Super-ACO, Rev. Sci. Instrum., 72, 1320-1329, 2001.
Nahon L., F. Polack, B. Lagarde, R. Thissen, C. Alcaraz, O. Dutuit & K. Ito.
Complete characterization of SU5: a VUV high resolution beamline with variable
polarizations, NIM A, 467, 453-457, 2001.
Schröder D., Loos J., Schwarz H., Thissen R. & Dutuit O. Gas-phase properties and
fragmentation behavior of cationic, dinuclear iron-chloride clusters Fe2Cln+(n=1-6),
Inorg. Chem., 40 (13), 3161-3169, 2001.
Schröder D., Loos J., Schwarz H., Thissen R., Preda D. V., Scott L.T., Caraiman D.,
Frach M. & Bohme D. Single and double ionization of corannulene and coronene,
Helvet. Chimica Acta, 84, 1625-1634, 2001.
Simon A., Lemaire J. , Boissel P. & P. Maître. Competition between agostic WCH
and HWCH+: A joint experimental and theoretical study, J. Chem. Phys., 115, 25102518, 2001.
** Boissel S.P., Joblin C. & Pernot. P. Singular Value Decomposition : a tool to
separate elementary contributions in ISOCAM spectral maps, Astronomy and
Astrophysics, 373, L5-L8, 2001.
** Heninger M., Pernot P. & Mestdagh H. Influence of the internal excitation of
FeCO+ on its reactivity with O2 observed in Fourier-transform ICR cell, Chem. Phys.
Lett., 333, 358-364, 2001.
** Lauvergnat D., Simon A. & Maître P. Valence bond curve-crossing model of the
1,2-hydrogen shift in HCN and isovalent systems, Chem. Phys. Lett., 350, 345-350,
2001.
2002
4
Joblin, C., Toublanc, D., Boissel, P. & Tielens, A.G.G.M. (2002) Calculations of the
far-infrared emission of C24H12 under interstellar conditions, Mol. Phys., 100, 3595.
Le Caër, S., Heninger, M. & Mestdagh, H. (2002) Successive reactions of iron
carbonyl cations with H2O. Influence of a buffer gas on ligand substitution rate,
Chem. Phys. Letters, 352, 393-400.
** Le Caër, S., Heninger, M., Pernot, P. & Mestdagh, H. (2002) Successive
reactions of iron carbonyl cations with dimethylether : direct cleavage versus
rearrangement, Phys. Chem. Chem. Phys., 4, 1855-1865.
** Le Caër, S., Pernot, P., Heninger, M. & Mestdagh, H. (2002) Influence of the
internal excitation of Fe(CO)2+ on its reactivity with dimethylether observed in Fourier
transform-ICR cell, Comptes Rendus Chimie, 5, 119-125.
Lemaire, J., Boissel, P., Heninger, M., Mauclaire, G., Bellec, G., Mestdagh, H.,
Simon, A., Le Caër, S., Ortega, J.-M., Glotin, F. & Maître, P. (2002) Gas phase
infrared spectroscopy of selectively prepared ions, Phys. Rev. Lett., 89(27), (2730021-4).
Loos, J., Schröder, D., Zummack, W., Schwarz, H., Thissen, R. & Dutuit, O. (2002)
Dissociation behavior of ionized valeramide. Part I: Experimental studies, Int. J.
Mass Spectrom., 214, 105-128.
Nicolas, C., Alcaraz, C., Thissen, R., Zabka, J. & Dutuit, O. (2002) Effects of ion
excitation on charge transfer reactions of the Mars, Venus, and Earth ionospheres,
Planet. Space Science, 50, 877-887.
Pech, C., Joblin, C. & Boissel, P. (2002) The profiles of the Aromatic Infrared Bands
explained with molecular carriers, Astron. & Astrophys., 388, 639.
Schröder, D., Loos, J., Schwarz, H., Dutuit, O., Thissen, R., Audier, H.-E., Mourgues,
P. & Lifshitz, C. (2002) Barrier height titration by tunable photoionization combined
with chemical monitoring : Unimolecular keto/enol tautomerization of acetamide
cation radical, Angew. Chem. Int. Ed., 41, (15), 2748-2751.
Schröder, D., Loos, J., Semialjac, M., Weiske, T., Schwarz, H., Höhne, G., Thissen,
R. & Dutuit, O. (2002) Dissociation behavior of ionized valeramide. Part III : An
unprecedented temperature effect on the C3/C2 branching ratio and its implications
for metastable ion dissociations, Int. J. Mass Spectrom., 214, 155-170.
Simon, A., Macaleese, L., Boissel, P. & Maître, P. (2002) Towards the
characterization of the mechanism of the sequential activation of four methane by
Ta+, Int. J. Mass. Spectrom., 219, 457-473.
Thissen, R., Dutuit, O., Alcaraz, C., Laprévote, O., Serani, L., Millié, P. & Soudan,
J.M. (2002) State-selected dissociation of dehydrovincamine alkaloid stereo-isomers,
Phys. Chem. Chem. Phys., 4, 661-667.
5
van Heijnsbergen, D., von Helden, G., Meijer, G., Maître, P. & Duncan, M.A. (2002)
Infrared spectra of V+-(Benzene) and V+-(Benzene)2 complexes in the gaz phase, J.
Am. Chem. Soc., 124, 1562-1563.
Witasse, O., Dutuit, O., Lilensten, J., Thissen, R., Zabka, J., Alcaraz, C., Blelly, P.-L.,
Bougher, S.W., Engel, S., Andersen, L.H. & Seiersen, K. (2002) Prediction of a
CO22+ layer in the atmosphere of Mars, Geophys. Res. Letters, 29 (8), (104,1-104,4).
2003
** Heninger, M., Lauvergnat, D., Lemaire, J., Boissel, P., Mauclaire, G. & Marx, R.
(2003) Radiative lifetime of vibrationally excited N2H+ and N2D+ molecular ions, Int. J.
Mass. Spectrom., 223-224, 669-678.
Le Caër, S., Heninger, M., Maître, P. & Mestdagh, H. (2003) Accurate measurement
of the relative bond energies of CO and H2O ligands in Fe+ mono- and bis-ligated
complexes, Rapid Communications in Mass Spectrometry, 17, (4), 351-357.
Lecaër, S., Mestdagh, H. & Maître, P. (2003) Condensation reaction versus ligand
exchange with first-row transition metal cations : a theoretical study of Cu+
heteroleptic model complexes, Int. J. Mass. Spectrom., sous presse.
Maître, P., LeCaër, S., Simon, A., Jones, W., Lemaire, J., Mestdagh, H., Heninger,
M., Mauclaire, G., Boissel, P., Glotin, F. & Ortega, J.-M. (2003) First ultrasensitive
spectroscopy of ionic reactive intermediates in gas phase performed by coupling of
an IR FEL with an FT-ICR, Nuc. Instr. and. Method. A, sous presse.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
1998
Alba-Simionesco C., Morineau D., Frick B., Higonenq N. & Fujimori H. An analysis of
the short and intermediate range order in several organic glass-forming liquids from
the static structure factor under pressure, J. Non-Crystalline Solids, 235/237, 367374, 1998.
Bordarier P., Rousseau B. & Fuchs A.H. A model for the static friction behaviour of
nanolubricated contacts, Thin Solid Films, 330, 21-26, 1998.
Bordarier P., Schoen M. & Fuchs A.H. Stick-slip phase transition in confined
solidlike films from an equilibrium perspective, Phys. Rev. E, 57 (2), 1621-1635,
1998.
Davydov V.A., Agafonov V., Dzyabchenko A.V., Céolin R. & Szwarc H. Packing
models for high-pressure polymeric phases of C60, J. Solid State Chem., 141, 164167, 1998.
6
Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Agafonov V., Allouchi H., Céolin
R., Dzyabchenko A.V., Senyavin V.M. & Szwarc H. Tetragonal polymerized phase
of C60 : formation and properties, Phys. Rev. B, 58, 14786, 1998.
Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Agafonov V.,
Ceolin R. & Szwarc H. Pressure-induced dimerization of fullerene C60, JETP Lett.,
68, 928-934, 1998.
Duval E. & Mermet A. Inelastic X-ray scattering from non-propagating vibrational
modes in glasses, Phys. Rev. B, 58, 8159, 1998.
Duval E., Mermet A., Surovtsev N., Jal J.F. & Dianoux A. J. Quasielastic scattering
and fast localized relaxation in poly(methylmethacrylate) glass, Phil. Mag., B77, 457,
1998.
Duval E., Mermet A., Surovtsev N.V. & Dianoux A.J. Boson peak, nanostructure and
relaxation of glasses, J. of Non Cryst. Solids, 203, 235-237, 1998.
Dysthe D.K., Rousseau B. & Fuchs A.H. Prediction of multicomponent fluid mixture
transport properties by molecular dynamics, Int. J. Thermophys., 19 (2), 437-448,
1998.
Ferrer M.-L., Kivelson D., Alba-Simionesco C. & Tarjus G. Supercooled liquids and
the glass transition : Temperature as the control variable, J. Chem. Phys., 109, 8010,
1998.
Fuchs A.H., Boutin A. & Rousseau B. Molecular simulations as a tool for predicting
phase equilibria and transport properties of fluids, Revue de l'Institut Français du
Pétrole, 53 (3), 329-333, 1998.
Gonthier-Vassal A. & Szwarc H. Thermodynamic properties of cycloketones : a DSC
study, Thermochimica Acta, 320, 141-154, 1998.
Lachet V., Boutin A., Tavitian B. & Fuchs A.H. Computational study of p-xylene/mxylene mixtures adsorbed in NaY zeolite, J. Phys. Chem. B, 102 (46), 9224-9233,
1998.
Maillet J.-B., Boutin A., Buttefey S., Calvo F. & Fuchs A.H. From molecular clusters
to bulk matter. I. Structure and thermodynamics of small CO2, N2 and SF6 clusters,
J. Chem. Phys., 109 (1), 329-337, 1998.
Masciovecchio C., Monaco G., Ruocco G., Sette F., Cunsolo A., Krisch M., Mermet
A., Soltwisch M. & Verbeni R. High frequency dynamics of glass forming liquids at
the glass transition, Phys. Rev. Lett., 80, 544, 1998.
Mathis Y.-L., Roy P., Tremblay B., Nucara A., Lupi S., Calvani P. & Gerschel A.
Magnetic fields discontinuity as a new brighter source of infrared synchrotron
7
radiation, Phys. Rev. Lett., 80 (6), 1220-1223, 1998.
Mermet A., Cunsolo A., Duval E., Krisch M., Masciovecchio C., Perghem S., Ruocco
G., Sette F., Verbeni R. & Viliani G. Pressure induced in-glass structural
transformation in the amorphous polymer poly(methyl methacrylate), Phys. Rev.
Lett., 80, 4205, 1998.
Michaud F., Barrio M., Toscani S., López D.O., Tamarit J.Ll., Agafonov V., Szwarc H.
& Céolin R. Solid-state studies on single and decagonal crystals of C60 grown from
1,2-dichloroethane, Phys. Rev. B, 57, 10351, 1998.
Morineau D. & Alba-Simionesco C. Hydrogen-bond-induced clustering in the fragile
glass-forming liquid m-toluidine : Experiments and simulations, J. Chem. Phys., 109
(19), 8494-8503, 1998.
Morineau D., Alba-Simionesco C., Bellisent-Funel M.-C. & Lauthié M.-F.
Experimental indication of structural heterogeneities in fragile hydrogen-bonded
liquids, Europhysics Letters, 43 (2), 195-200, 1998.
Moussa F., Roux S., Pressac M., Génin E., Hatchouel M., Trivin F., Rassat A., Céolin
R. & Szwarc H. In vivo reaction between [60] fullerene and vitamin A in mouse liver,
New J. Chem., 989-992, 1998.
Simon J.-M., Dysthe D.K., Fuchs A.H. & Rousseau B. Thermal diffusion in alkane
binary mixtures. A molecular dynamics approach, Fluid Phase Equilibria, 150-151,
151-159, 1998.
Szwarc H. & Gasgnier M. Low energy mechanochemistry : formation of silver and
copper from hemioxides, J. Solid State Chem., 136, 51, 1998.
1999
Alba-Simionesco C., Fan J. & Angell C.A. Thermodynamic aspects of the glass
transition phenomenon. Molecular liquids with variable interactions, J. Chem. Phys.,
110, 5262-5272, 1999.
Calvo F., Boutin A. & Labastie P. Structure of nitrogen molecular clusters (N2)N with
13 <= N <= 55, European Physical Journal D, 9, 189-193, 1999.
Céolin R., López D.O., Barrio M., Agafonov V., Allouchi H., Moussa F., Szwarc H. &
Tamarit J.-L. A new hexagonal phase of fullerene C60, Chem. Phys. Lett., 314, 21-26,
1999.
Cunsolo A., Ruocco G., Sette F., Masciovecchio C., Mermet A., Monaco G., Sampoli
M. & Verbeni R. Experimental determination of the structural relaxation in liquid
water, Phys. Rev. Lett., 82, 775, 1999.
8
Davydov V.A., Agafonov V., Allouchi H., Céolin R., A.V. Dzyabchenko & Szwarc H.
Tetragonal polymerized phase of C60 : experimental artifact or reality ?, Synthetic
Metals, 103, 2415-2416., 1999.
Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Agafonov V., Allouchi H., Céolin
R., Dzyabchenko A.V., Senyavin V.M., Szwarc H., Tanaka T. & Komatsu K.
Particularities of C60 transformations at 1.5 GPa, J. Phys. Chem., 103, 1800-1804,
1999.
De Sant'Ana H.B., Ungerer P. & De Hemptinne J.C. Evaluation of an improved
volume translation for the prediction of hydrocarbon volumetric properties, Fluid
Phase Equilibria, 154, 193, 1999.
Delhommelle J., Boutin A. & Fuchs A.H. Molecular simulation of vapor-liquid
coexistence curves for hydrogen sulfide - alkane and carbon dioxide - alkane
mixtures, Molecular Simulation, 22, 351-368, 1999.
Delhommelle J., Boutin A., Tavitian B., Mackie A.D. & Fuchs A.H. Vapor-liquid
coexistence curves of the united-atom and anisotropic united-atom force fields for
alkanes, Molec. Phys., 96, 1517-1524, 1999.
Delhommelle J., Granucci G., Brenner V., Millié P., Boutin A. & Fuchs A.H. A new
method for deriving atomic charges and dipoles for n-alkanes : investigation of
transferability and geometry-dependence, Molecular Physics, 97 (9), 1117-1128,
1999.
Dysthe D.K., Durandeau M., Fuchs A.H. & Rousseau B. Fluid transport properties by
equilibrium molecular dynamics II. Multicomponent systems, J. Chem. Phys., 110 (8),
4060-4067, 1999.
Dysthe D.K., Fuchs A.H. & Rousseau B. Fluid transport properties by equilibrium
molecular dynamics I. Methodology at extreme fluid states, J. Chem. Phys., 110 (8),
4047-4059, 1999.
Ferrer M.-L., Sakai H., Kivelson D. & Alba-Simionesco C. Extension of the Angell
fragility concept, J. Phys. Chem. B, 103 (20), 4191-4196, 1999.
Fioretto D., Buchenau U., Comez L., Sokolov A., Masciovecchio C., Mermet A.,
Ruocco G., Sette F., Willner L., Frick B., Richter D. & Verdini L. High-frequency
dynamics of glass-forming polybutadiene, Phys. Rev. E, 59, 4470, 1999.
Frick B. & Alba-Simionesco C. Comparison of the pressure and temperature
dependence of the elastic incoherent scattering in polybutadiene and
polyisobutylene, Physica B, 266, 13-19, 1999.
Gardette M.-F., Chilouet A., Toscani S., Allouchi H., Agafonov V., Rouland J.-C.,
Szwarc H. & Céolin R. Phase equilibria in the C60-sulphur system, Chem. Phys. Lett.,
9
306, 149-154, 1999.
Kircher O., Böhmer R. & Alba-Simionesco C. Reorientations and translations in a
fragile glassformer : magnetic resonnance studies of m-fluoroaniline, J. Mol. Struc.,
479, 195-200, 1999.
Lachet V., Boutin A., Tavitian B. & Fuchs A.H. Molecular simulation of p-xylene/mxylene adsorption in Y zeolites. Single components and binary mixtures study,
Langmuir, 15, 8678-8685, 1999.
Maillet J.-B., Boutin A. & Fuchs A.H. From molecular clusters to bulk matter. II.
Crossover from icosahedral to crystalline structures in CO2 clusters, J. Chem. Phys.,
111, 2095-2102, 1999.
Masciovecchio C., Mazzacurati V., Monaco G., Ruocco G., Scopigno T., Sette F.,
Benassi P., Cunsolo A., Fontana A., Krisch M., Mermet M., Montagna M., Rossi F.,
Sampoli M., Signorelli G. & Verbeni R. Acoustic nature of the boson peak in vitreous
silica, Phil. Mag. B, 79, 2013-2020, 1999.
Miyazaki Y., Sorai M., Lin R., Dworkin A., Szwarc H. & Godard J. Heat capacity of a
giant single crystal of C60, Chem. Phys. Lett., 305, 293-297, 1999.
Morineau D., Dosseh G., Alba-Simionesco C. & Llewellyn P. Glass transition,
freezing and melting of liquids confined in MCM-41, Phil. Mag. B, 79, 1847-1855,
1999.
Neubauer B., Boutin A., Tavitian B. & Fuchs A.H. Gibbs ensemble simulations of
vapour-liquid phase equilibria of cyclic alkanes, Molecular Physics, 97, 769-776,
1999.
Neubauer B., Delhommelle J., Boutin A., Tavitian B. & Fuchs A.H. Monte Carlo
simulations of squalane in the Gibbs ensemble, Fluid Phase Equilibria, 155, 167-176,
1999.
Neubauer B., Tavitian B., Boutin A. & Ungerer P. Molecular simulations on
volumetric properties of natural gas, Fluid Phase Equilibria, 161, 45-62, 1999.
Porcheron F., Rousseau B., Fuchs A.H. & Schoen M. Monte Carlo simulations of
nanoconfined n-decane films, Phys. Chem. Chem. Phys., 1, 4083-4090, 1999.
Senyavin V.M., Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Agafonov V.,
Allouchi H., Céolin R., Sagon G. & Szwarc H. Spectroscopic properties of individual
pressure-polymerized phases of C60, Chem. Phys. Lett., 313, 421-425, 1999.
Simon J.-M., Rousseau B., Dysthe D.K. & Hafskjold B. Thermal diffusion in methane
n-decane mixtures by molecular dynamics using spherical and flexible multicenter
models, Entropie, 217, 29, 1999.
10
Sokolov A.P., Buchenau U., Richter D., Masciovecchio C., Sette F., Mermet A.,
Fioretto D., Ruocco G., Willner L. & Frick B. Brillouin and Umklapp scattering in
polybutadiene: comparison of neutron and X-ray scattering, Phys. Rev. E., 60,
R2464, 1999.
Ungerer P., Boutin A. & Fuchs A.H. Direct calculation of bubble points by Monte
Carlo simulation, Molec. Phys., 97, 523-539, 1999.
2000
Allouchi H., López D. O., Gardette M.-F., Tamarit J.-L., Agafonov V., Szwarc H. &
Céolin R. Thermal and mechanical behaviour of the C60.2 S8 monoclinic compound,
Chem. Phys. Lett., 317, 40-44, 2000.
Aoudi A., Dreyfus C., Massot M., Pick R.M., Patkowski A. & Alba-Simionesco C.
Light scattering study of the liquid glass transition of m-toluidine, J. Chem. Phys.,
112, 9860, 2000.
Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Céolin R.,
Szwarc H., Allouchi H. & Agafonov V. Spectroscopic study of pressure-polymerized
phases of C60, Phys. Rev. B, 61 (18), 11936-11945, 2000.
Delhommelle J., Tschirwitz C., Ungerer P., Granucci G., Millié P., Pattou D. & Fuchs
A.H. Derivation of an optimized potential model for phase equilibria (OPPE) for
sulfides and thiols, J. Phys. Chem. B, 104, 4745, 2000.
Dosseh G., Morineau D. & Alba-Simionesco C. Benzene confined in MCM-41 below
its melting point : A proton NMR study, J. Phys. IV, 10 (P7), 99-102, 2000.
Dysthe D.K., Fuchs A.H. & Rousseau B. Fluid transport properties by equilibrium
molecular dynamics. III Evaluation of united atom interaction potential models for
pure alkanes, J. Chem. Phys., 112, 7581, 2000.
Gasgnier M., Szwarc H. & Ronez A. Low-energy ball-milling : Transformations of
boron nitride powders. Crystallographic and chemical characterizations, J. Mat. Sci.,
35, 3003-3009, 2000.
Grell A.S., Masin F., Céolin R., Gardette M.F. & Szwarc H. Molecular dynamics of
C60.2S8 : A 13C NMR study, Phys. Rev. B, 62 (6), 3722-3727, 2000.
Krakoviack V. & Alba-Simionesco C. Quantitative investigation of the mean-field
scenario for the structural glass transition from a schematic mode-coupling analysis
of experimental data, Europhys. Lett., 51 (4), 420, 2000.
Morineau D., Casas F., Alba-Simionesca C., Grosman A., Bellisent-Funel M.C. &
Ratovelomanana N. A neutron scattering investigation of the structural properties of
glassforming m-toluidine confined in MCM-41, J. Phys. IV, 10 (P7), 95-98, 2000.
11
Ungerer P., Beauvais C., Delhommelle J., Boutin A., Rousseau B. & Fuchs A. H.
Optimization of the anisotropic united atoms intermolecular potential for n-alkanes, J.
Chem. Phys., 112, 5499-5510, 2000.
2001
Alba-Simionesco C. Salient properties of liquids close to the glass transition,
Comptes Rendus de l'Académie des Sciences, Série IV, 203-216, 2001.
Boutin A., Buttefey S., Cheetham A.K. & A.H. Fuchs. Molecular simulation of
adsorption of guest molecules in zeolitic materials, Mol. Simulation, 27, 267, 2001.
Brubach J.B., Mermet A., Filabozzi A., Gerschel A., Lairez D. & Roy P. Dependence
of water dynamics upon confinement size, J. Phys. Chem. B, 105, 430, 2001.
Buttefey S. , Boutin A. & Fuchs A.H. Adsorption of xylene isomers and water in
faujasites. A molecular simulation study, Studies in Surf. Sci. and Catalysis, 135,
155, 2001.
Buttefey S., Boutin A., Mellot-Draznieks C. & Fuchs A.H. A simple model for
predicting Na+ distribution in anhydrous NaY and NaX zeolites, J. Phys. Chem. B,
105, 9569, 2001.
Céolin R., Tamarit J. Ll., Barrio M., López D.O., Toscani S., Allouchi H., Agafonov V.
& Szwarc H. Solid-state studies on a cubic 1:1 solvate of C60 grown from
dichloromethane and leading to another hexagonal C60 polymorph, Chem. Mater.,
13, 1349-1355, 2001.
Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Pronina O.P.,
Oleynikov N.N., Céolin R., Agafonov V. & Szwarc H. Pressure-induced dimerization
of fullerene C60 : a kinetic study, Chem. Phys. Lett., 333, 224-229, 2001.
Demirjian B.G., G. Dosseh, Chauty A., Ferrer M. L., Morineau D., Lawrence C.,
Takeda K., D. Kivelson & S. Brown. Metastable solid phase at the crystallineamorphous border : The glacial phase of triphenyl phosphite, J. Phys. Chem. B, 105
(11), 2107-2116, 2001.
Fuchs A.H. & Cheetham A.K. Adsorption of guest molecules in zeolitic materials :
computational aspects, J. Phys. Chem. B, 105, 7375, 2001.
Gasgnier M., Szwarc H., Petit A., Nahmias J. & Loupy A. Alkylation reactions of
potassium carboxylates supported on alumina : Comparison between ball-milling,
impregnation, and dispersion procedures, J. Chem. Soc. Perkin Transactions, 2,
1233-1238, 2001.
Goujon F., Malfreyt P., Boutin A. & Fuchs A. H. Vapour-liquid phase equilibria of nalkanes by direct Monte carlo simulations, Mol. Simulation, 27, 99, 2001.
12
Lachet V., Buttefey S., Boutin A. & Fuchs A.H. Molecular simulation of adsorption
equilibria of xylene isomers mixtures in faujasite zeolites. A study of the cation
exchange effect on adsorption selectivity, Phys. Chem. Chem. Phys., 3, 80-86, 2001.
Lagache M., Ungerer P., Boutin A. & Fuchs A.H. Prediction of thermodynamic
derivative properties of fluids by Monte Carlo simulation, Phys. Chem. Chem. Phys.,
3, 4333, 2001.
Mellot-Draznieks C., Buttefey S., A. Boutin & A.H. Fuchs. Placement of Cations in
NaX Faujasite-Type Zeolite using (N, V,T) Monte Carlo Simulations, Chem. Comm.,
21, 2200, 2001.
Pellenq R.J.M., Rousseau B. & Levitz P. A Grand Canonical Monte Carlo study of
argon adsorption/condensation in mesoporous silica glasses, Phys. Chem. Chem.
Phys., 3, 1207-1212, 2001.
Perronace A., Simon J.M., Rousseau B. & Ciccotti G. Flux expressions and NEMD
perturbations for models of semi-flexible molecules, Molec. Phys., 99 (13), 11391149, 2001.
Porcheron F., Rousseau B., Schoen M. & Fuchs A.H. Structure and solvation forces
in confined alkane films, Phys. Chem. Chem. Phys., 3, 1155-1159, 2001.
Roy P., Brubach J.B., Calvani P., de Marzi G., Filabozzi A., Gerschel A., Giura P.,
Lupi S., Marcouille O., Mermet A., Nucara A., Orphal J., Paolone A. & Vervloet M.
Infrared synchrotron radiation : from the production to the spectroscopic and
microscopic applications, Nuclear Instruments and Methods in Physics Research,
2001.
Szwarc H., Grell A.-S., Masin F., Tamarit J.Ll., Miltenburg J.C. van, Allouchi H.,
Agafonov V., Rodriguez-Carvajal J. & Céolin R. Le solvate C60,2S8 : Mystères et
certitudes, J. Phys. IV, 11, Pr 10-41, 2001.
Tamisier-Karolak S.-L., Pagliarusco S., Herrenknecht C., Brettreich M., Hirsch A.,
Céolin R., Bensasson R. V., Szwarc H. & Moussa F. Electrophoretic behavior of a
highly water-soluble dendro [60] fullerene, Electrophoresis, 22, 4341-4346, 2001.
Ungerer P., Boutin A. & Fuchs A.H. Direct calculation of bubble points for alkane
mixtures by molecular simulation, Mol. Phys., 99, 1423, 2001.
** Dubois V. , Archirel P. & Boutin A. Monte carlo simulations of Ag+ and Ag in
aqueous solution. Redox potential of the Ag+/Ag couple, J. Phys. Chem. B, 105 (38),
9363, 2001.
2002
13
Alba-Simionesco, C., Kivelson, D. & Tarjus, G. (2002) Temperature, density, and
pressure dependence of relaxation times in supercooled liquids, J. Chem. Phys.,
116, 5033.
Boissière, J., Brubach, B., Mermet, A., Marzi, G.d., Prouzet, E. & Roy, P. (2002)
Water confined between lamellar structures of AOT surfactant ; An infrared
investigation, J. Phys. Chem. B, 106, (5), 1032-1035.
Bourasseau, E., Ungerer, P., Boutin, A. & Fuchs, A. (2002) Monte Carlo simulation of
branched alkanes and long chain n-alkanes with anisotropic united atoms
intermolecular potential., Mol. Simulation, 28, (4), 317-336.
Bourasseau, E., Ungerer P. & Boutin A. (2002) Prediction of equilibrium properties of
cyclics alkanes by Monte-Carlo simulation. New anisotropic United Atoms
Intermolecular potential. New transfer bias method., J. Phys. Chem. B, 106, 54835491.
Buttefey, S., Boutin, A. & Fuchs, A.H. (2002) Cation distribution in Faujasite-type
zeolites : A test of semi-empirical force fields for Na cations, Mol. Simulation, 28,
1049.
Dysthe, D.K., Renard, F., Porcheron, F. & Rousseau, B. (2002) Fluid in mineral
interfaces - Molecular simulations of structure and diffusion, Geophys. Res. Lett., 29,
(7), 13208-13211.
Espeau, P., Barrio, M., López, D.O., Tamarit, J.L., Céolin, R., Allouchi, H., Agafonov,
V., Masin, F. & Szwarc, H. (2002) Phase Equilibria in the C60 + Ferrocene System
and Solid-State Studies of the C60 Ferrocene Solvate, Chem. Mat., 14, 321-326.
Farago, J. (2002) Injected power fluctuations in Langevin equation, J. of Stat. Phys.,
107, 781-803.
Frick, B. & Alba-Simionesco, C. (2002) Pressure dependence of the Boson peak in
poly(butadiene), Applied Physics A, 74, (suppl.), S549-S551.
Krakoviack, V. & Alba-Simionesco, C. (2002) What can be learned from the modecoupling schematic approach to experimental data ?, J. Chem. Phys., 117, 2161.
Morineau, D., Xia, Y. & Alba-Simionesco, C. (2002) Finite-size and surface effects on
the glass transition of liquid Toluene confined in cylindrical mesopores, J. Chem.
Phys., 117, 8966.
Perronace, A., Ciccotti, G., Leroy, F., Fuchs, A.H. & Rousseau, B. (2002) Soret
coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium
molecular dynamics : A comparison with experiments, Phys. Rev. E., 66, 3120131215.
14
Perronace, A., Leppla, C., Leroy, F., Rousseau, B. & Wiegand, S. (2002) Soret and
mass diffusion measurements and molecular dynamics simulations of n-pentane--ndecane mixtures, J. Chem. Phys., 116, (9), 3718-3729.
Porcheron, F., Rousseau, B. & Fuchs, A.H. (2002) Structure of ultrathin confined nalkane films (n=1, 4, 10) from Monte Carlo simulations, Mol. Phys., 100, (13), 21092119.
Porcheron, F., Schoen, M. & Fuchs, A.H. (2002) Monte Carlo simulation of a
complex fluid confined to a pore with nanoscopically rough walls, J. Chem. Phys.,
116, 5816.
Rousseau, B. & Petravic, J. (2002) Transport coefficients in xylene isomers, J. Phys.
Chem. B, 106, (50), 13010-13017.
Sacquin, S., Schoen, M. & Fuchs, A.H. (2002) Fluids confined by nanopatterned
substrates of low symmetry, Mol. Phys., 100, 2971.
Teboul, V. & Alba-Simionesco, C. (2002) Properties of a confined molecular
glassforming liquid by molecular dynamic simulations, J. Phys. : Condens. Matter.,
14, 5699-5709.
2003
Alba-Simionesco, C., Tölle, A., Morineau, D., Farago, B. & Coddens, G. (2003) "de
Gennes ", narrowing in supercooled molecular liquids : Evidence for center-of-mass
dominated slow dynamics, EPJ B, cond-mat/0103599.
Bourasseau, E., Haboudou, M., Boutin, A., Fuchs, A.H. & Ungerer, P. (2003) “New
optimisation method for intermolecular potentials : Optimization of a new anisotropic
united atoms potential for olefins : Prediction of equilibrium properties.”, J. Chem.
Phys., 118, 3020.
Cailliaux, A., C. Alba-Simionesco, B. Frick, L. Willner & Goncharenko, I. (2003) Local
structure and glass transition of polubutadiene up to 4GPa (Rapid Comm.),
Phys.Rev.E, 67, (010802).
Frick, B., Alba-Simionesco, C., Andersen, K. & Willner, L. (2003) Influence of Density
and Temperature on the Microscopic Structure and the Segmental Relaxation of
Polybutadiene, Phys.Rev E, accepté.
Frick, B., Dosseh, G., Cailliaux, A. & Alba-Simionesco, C. (2003) Pressure
dependence of the segmental relaxation of polybutadiene and polyisobutylene and
influence of molecular weight, Chemical Physics, accepté.
Morineau, D. & Alba-Simionesco, C. (2003) Liquids in confined geometry : How to
connect changes in the structure factor to modifications of local order, J. Chem
Phys., accepté.
15
** Nicolas, C., Boutin, A., Lévy, B. & Borgis, D. (2003) Molecular simulation of a
hydrated electron at different temperatures and pressures, J. Chem. Phys., 118,
9689.
** Pascual, P., Ungerer, P., Tavitian, B., Pernot, P. & Boutin, A. (2003) Development
of a transferable guest-host force field for adsorption of hydrocarbons in zeolites. I.
Reinvestigation of alkane adsorption in silicalite by grand canonical Monte Carlo
simulation, Phys. Chem. Chem. Phys., 5, 3684-3693.
Sacquin, S., Schoen, M. & Fuchs, A.H. (2003) Fluid phase transitions at chemically
heterogeneous nonplanar solid substrates. Surface versus confinement effects, J.
Chem. Phys., 118, 1453.
Tarjus, G., Alba-Simionesco, C., Grousson, M., Viot, P. & Kivelson, D. (2003) Locally
preferred structure and Frustration in Glassforming Liquids : a clue to polymorphism,
J. Phys. : Condens. Matter., sous presse.
Tölle, A. & Alba-Simionesco, C. (2003) Neutron scattering studies of liquid, glassy
and crystalline toluene, J. Chem.Phys., accepté.
Equipe Transfert d’Electrons en Milieu Condensé (TEMiC)
1998
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16
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Morgenstern-Badarau I., Lambert F., Deroche A., Cesario M., Guilhem J., Keita B. &
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Structure and reactivity toward superoxide, Inorganica Chimica Acta, 234, 275-276,
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1999
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complexes containing the 4-(2-pyridyl)pyrimidine ligand with amine and amino acid
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Ashokkumar M. & Marignier J.-L. Hydrogen and oxygen evolution from water using
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photoinduced electrons in doped silver halide crystals, Nature, 402, 865-867, 1999.
17
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Cudic M., Dendane M., Houée-Levin C. & Ducrocq C. Efficiency of NO2 and
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Fuhrhop J.–H., Svenson S., Böttcher C., Träger C., Demoulin P., Schneider J.,
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Keita B., Abdeljalil E., Girard F., Gerschwiler S., Nadjo L., Contant R. & Haut C.
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Keita B., F.Girard, Nadjo L., Contant R., Canny J. & Richet M. Metal ion complexes
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18
Lainé P. & Amouyal E. Photophysical properties of osmium(II) complexes with the
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Mahmoud A., Keita B., Nadjo L., Oung O., Contant R., Brown S. & De Kouchkovski
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Poumellec B., Guenot Ph., Nadjo L., Keita B. & Nicolardot M. Information obtained
from the surface profile of a cut single-mode fiber, J. Lightwave Technology, 17,
1357, 1999.
Rémita S., Picq G., Khatouri J. & Mostafavi M. Radiolytic formation of bilayered
Ptcore/Aushell and Aucore/Ptshell clusters in aqueous solution, Radiat. Phys. Chem. Journal,
54, 463-473, 1999.
Roselli C., Perly B., Duchêne D. & Wouessidjewe D. 1H-NMR contribution to prove
the formation of inclusion complex between nimesulide and beta-cyclodextrin and its
hydrophilic derivatives, STP Pharma Sciences, 1999.
Ruhlmann L., Lobstein S., Gross M. & A. Giraudeau. An electrosynthetic path
towards pentaporphyrins, J. Org. Chem., 64, 1352-1355, 1999.
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porphyrin adsorbed to gold and embedded in rigid membrane gaps, J. Am. Chem.
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2000
Audette M., Blouquit Y. & Houée-Levin C. Oxidative dimerization of proteins : role of
tyrosine accessibility, Arch. Biochem. Biophys., 376, 217-220, 2000.
Audette M., Chen X., Houée-Levin C., Potier M. & Maire M. le. Protein radiolysis
in frozen solutions is a macromolecular surface phenomenon : fragmentation of
lysozyme, citrate synthase and lactalbumin in native or denatured states, Int. J.
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Belloni J., Delcourt M.O., Houée-Levin C. & Mostafavi M. Radiation Chemistry, In
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19
Belloni J. & Mostafavi M. Landmarks in Radiation Chemistry in "Un siècle de Chimie
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Bergès J., Fuster F., Jacquot J.-P., Silvi B. & Houée-Levin C. Influence of
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Contant R., Abbessi M., Canny J., Richet M., Keita B., Belhouari A. & Nadjo L.
Synthesis, characterization and electrochemistry of complexes complexes derived
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El Hanine C., Conte D., Jacquot J.-P. & Houée-Levin C. Redox properties of protein
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Keita B., Abdeljalil E., Nadjo L., Avisse B., Contant R., Canny J. & Richet M. Ligand
and electrolyte effects in the electroreduction of copper-substituted heteropolyanions,
Electrochemistry Communications, 2, 145-149, 2000.
Keita B., Contant R., Abdeljalil E., Girard F. & Nadjo L. Electrodeposition of films
from the tetrameric complex [(HOAs)4P2Mo12O46]4-, Electrochemistry
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Keita B., Lu Y.W., Nadjo L. & Contant R. Salient electrochemical and electrocatalytic
behaviours of the crown heteroplyanion K28Li5H7P8W48O184 .92 H2O,
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Lampre I., Pernot P. & Mostafavi M. Spectral properties and redox potentials of
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Lhiaubet V., Gutierrez F., Penaud-Berruyer F., Amouyal E., Daudey J-P., Poteau R.,
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states of fenofibric acid and ketoprofen in relation with their photosensitizing
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Mostafavi M., Liu Y.P., Pernot P. & Belloni J. Dose rate effect on size of CdS
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20
Torigoe K., Rémita H., Picq G., Belloni J. & Bazin D. Characterization of supported
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2001
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Amatore C. , Arbault S. , Bruce D., de Oliveira P., Erard M. & Vuillaume M.
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Amatore C. , Arbault S. , Bruce D., de Oliveira P., Erard M. & Vuillaume M.
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Gobert F., Pommeret S., Vigneron G., Buguet S., Haidar R., Mialocq J.C., Lampre I.
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Keita B., Abdeljalil E., Nadjo L., Contant R. & Belgiche R. First examples of efficient
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Keita B., Girard F., Nadjo L., Belghiche R. & Abbessi M. Cyclic voltammetry
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21
Keita B., Mbomekalle I. M., Nadjo L. & Contant R. [H4AsW18O62]7- a novel Dawson
heteropolyanion and two of its sandwich-type derivatives
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electrocatalytic properties towards nitrite and nitrate, Electrochemistry
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Konstantaki M., Koudoumas E., Couris S., Lainé P., Amouyal E. & Leach S.
Substantial non-linear optical response of new polyads based on Ru and Os
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Mostafavi M. & Renou F. Reactivity of the solvated electron toward divalent
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2002
Barrio, M., de Oliveira, P., Céolin, R., D.O. Lopez & J.Ll.Tamarit (2002)
Polymorphism of 2-Methyl-2-chloropropane and 2,2-Dimethylpropane (Neopentane) :
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Belghiche, R., Contant, R., Lu, Y.W., Keita, B., Abbessi, M. & Nadjo, L. (2002)
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Belloni, J. (2002) The role of silver clusters in Photography, C.R. Physique, C.,
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22
Contant, R., Richet, M., Lu, Y.W., Keita, B. & Nadjo, L. (2002) Isomerically Pure 1Monosubstituted Tungstodiphosphates : Synthesis Characterization and Stability in
Aqueous Solutions, Eur. J. Inorg. Chem., 2587-2593.
De Waele, V., Schmidhammer, U., Mrozek, T., Daub, J. & Riedle, E. (2002) Ultrafast
bidirectional dihydroazule/vinyl-heptafulvene (dha/vhf) molecular switches : The
photochemical ring closure of vinylheptafulvene proven by a two pulses experiment,
J. Am. Chem. Soc., 124, 2438-2439.
Keita, B., Benaissa, M., Nadjo, L. & Contant, R. (2002) Dioxygen and hydrogen
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Keita, B., Mbomekalle, I.M., Nadjo, L. & Contant, R. (2002) Compared behaviours of
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Kortz, U., Mbomekalle, I.M., Keita, B., Nadjo, L. & Berthet, P. (2002) Sandwich-Type
Phosphotungstates : Structure, Electrochemistry, and Magnetism of theTrinickelSubstituted Polyoxoanion [Ni3Na(H2O)(PW 9O34)2]11-, Inorg. Chem., 41, 6412-6416.
Kortz, U., Savelieff, M.G., Bassil, B.S., Keita, B. & Nadjo, L. (2002) Synthesis and
characterization of iron(III)-substituted, dimeric polyoxotungstates,
[Fe4(H2O)10(XW 9O33)2]n- (n = 6, X = AsIII, SbIII; n = 4, X = SeIV, TeIIV), Inorg. Chem.,
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Krolicki, R., Jarzeba W., Mostafavi, M. & Lampre I. (2002) Preferential solvation of
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Krolicki, R., Jarzeba W., Soroushian, B., Lampre I. & Mostafavi, M. (2002) Hydrogen
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Lainé, P., Bedioui, F., Amouyal, E., Albin, V. & Berruyer-Penaud, F. (2002)
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architechtures. Intercomponent coupling and photoinduced processes, Chem. Eur.
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Lainé, P., Bedioui, F., Ochsenbein, P., Marvaud, V., Bonin, M. & Amouyal, E. (2002)
A new class of functionalized terpyridyl ligands as building blocks for photosensitized
supramolecular architechtures. Synthesis, structural, and electronic properties, J.
Am. Chem. Soc., 124, 1364-1377.
Mostafavi, M., Dey, G.R., François, L. & Belloni, J. (2002) Transient and stable silver
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23
Mostafavi, M., Lin, M., Wu, G., Katsumura, Y. & Muroya, Y. (2002) Pulse radiolysis
study of absorption spectra of Ag° and Ag2+ in water from room temperature up to
380°C, J. Phys. Chem. A, 106, 3123-3127.
Ruhlmann, L., Canny, J. & Thouvenot, R. (2002) Two Novel Dawson-Derived
Sandwich of Composition : Na18[(NaOH2)2Co2(P2W15O56)2] and
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Ruhlmann, L., Nadjo, L., Canny, J., Contant, R. & Thouvenot, R. (2002) Di- and
Tetranuclear Dawson-Derived Sandwich Complexes : Synthesis, Spectroscopic
Characterization and Electrochemical Behavior, Eur. J. Inorg. Chem., 975-986.
Torigoe, K., Rémita, H., Beaunier, P. & Belloni, J. (2002) Radiolytic synthesis of
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Toscani, S., de Oliveira, P. & Céolin, R. (2002) IV. The Trimorphism of Ferrocene
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2003
Fettouhi, M., El Ali, B., Morsy, M., Golhen, S., Ouahab, L., Le Guennic, B., Saillard,
J.Y., Daro, N., Sutter, J.P. & Amouyal, E. (2003) Metal-dependent ferro- versus
antiferromagnetic interactions in molecular crystals of square planar {M(II) iminonitroxide radical} complexes (M = Pt, Pd), Inorg. Chem., 42, 1316-1321.
Mbomekalle, I.M., Keita, B., Nadjo, L. & Berthet, P. (2003) Direct and improved
synthesis of tri-nickel sandwich-type polyanion [Ni3Na(H2O)(PW 9O34)2]11-, Inorg.
Chem. Commun., 6, 435-438.
Mbomekalle, I.M., Keita, B., Nadjo, L., Berthet, P., Hardcastle, K.I., Hill, C.L. &
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and Electrocatalytic Studies of -(FeIIIOH2)2FeIII2(As2W 15O56)212-, Inorg. Chem.,
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Mbomekalle, I.M., Keita, B., Nadjo, L., Contant, R., Belai, N. & Pope, M.T. (2003)
Rationalization and improvement of the synthesis of two octadecatungstoarseniates
:The novel -K7[H4AsW 18O62].18H2O and the well known symmetrical K6[As2W 18O62].14H2O, Inorg. Chim. Acta, 342, 219-228.
Rémita, H., Etcheberry, A. & Belloni, J. (2003) Dose rate effect on bimetallic goldpalladium cluster structure, J. Phys. Chem. B, 107, 31-36.
24
** Renou, F., Mostafavi, M., Archirel, P., Bonazzola, L. & Pernot, P. (2003)
Solvated electron pairing with earth alkaline-metals in THF. I Formation and structure
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25
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26
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27
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Solvation of magnesium and singly ionised atoms in NH3 clusters, theory and
experiment., J. Chem. Phys., 112, 10912, 2000.
Enescu M., Lévy B. & Gheorghe V. Molecular dynamics simulation of methylene
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Malégat L., Citrini F., Selles P. & Archirel P. Double photoionisation of Ca : a
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Blasco S., Demachy I., Jean Y. & Lledos A. DFT study of the structural and redox
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28
Bouchoux G., Berruyer-Penaud F. & Bertrand W. Structure, thermochemistry and
reactivity of protonated glycoaldehyde, Eur. J. of Mass Spectrom., 7, 351-357, 2001.
Bouchoux G., Choret N. & Berruyer-Penaud F. Protonation thermochemistry of alkyldiamines in the gas phase : a theoretical study, J. Phys. Chem. A, 105, 39893994, 2001.
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Spectroscopy and photophysics of styrylquinoline-type HIV-1 integrase inhibitors and
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Castarlenas R., Esteruelas M. A., Jean Y., Lledos A., Onate E. & Tomas J.
Formation and stereochemistry of octahedral cationic hydride-azavinylidene
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Jug K., Hiberty P.C. & Shaik S. The energy separation in modern electronic
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Rosa P., Mezailles N. , Ricard L. , Mathey F., Le Floch P. & Jean Y. Dianionic iron
and ruthenium (-2) biphosphinine complexes: a formal d10 ruthenium complex with a
square planar geometry, Angew. Chem. Int. Ed., 40, 1251, 2001.
Shaik S., Shurki A., Danovich D. & Hiberty P.C. A different story of -delocalization.
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1501-1539, 2001.
Shaik S., Wu W., Dong K., Song L. & Hiberty P.C. Identity hydrogen abstraction
reactions, MH3* + M'H4 Ø MH4 + M'H3* (M= C, Si, Ge, Sn, Pb) : a Valence Bond
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Vaeck N., Bacchus M.-C., Baloïtcha E. & Desouter-Lecomte M. Electron capture
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29
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separate elementary contributions in ISOCAM spectral maps, Astronomy and
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** Dubois V. , Archirel P. & Boutin A. Monte carlo simulations of Ag+ and Ag in
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FeCO+ on its reactivity with O2 observed in Fourier-transform ICR cell, Chem. Phys.
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** Lauvergnat D., Simon A. & Maître P. Valence bond curve-crossing model of the
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** Steenkeste K., Guiot E., Tfibel F., Pernot P., Mérola F., Georges P. & FontaineAupart M.P. Camptothecine-guanine interactions : mechanism of charge transfer
reaction upon photoexcitation. Special issue on "Photoprocesses in
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** Tréguer M., Rémita H., Pernot P., Khatouri J. & Belloni J. Redox kinetics of
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2002
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ab initio theoretical study, J. Amer. Chem. Soc., 124, 2371-2378.
30
Braïda, B., Thogersen, L., Wu, W. & Hiberty, P.C. (2002) Stability, Metastability and
Unstability of Three-Electron-Bonded Radical Anions. A Model ab initio Study, J.
Amer. Chem. Soc., 124, 11781-11790.
Brems, V. & Desouter-Lecomte, M. (2002) Memory kernels and effective
Hamiltonians from time-dependent methods. II. Vibrational predissociation, J. Chem.
Phys., 116, 8318-8326.
Carbo, J.J., Crochet, P., Esteruelas, M.A., Jean, Y., Lledos, A., Lopez, A.N. & Onate,
E. (2002) Two- and four-electron-alkyne ligands in osmimium-cyclopentadienyle
chemistry : consequences of theM interaction, Organometallics, 21, 305-314.
Dubois, V. & Archirel, P. (2002) Monte-Carlo Simulations of Ag2+ and Ag2 in Aqueous
Solution, J. Phys. Chem. B, 106, 12022-12030.
Enescu, M., Ridard, J., Gheorghe, V. & Levy, B. (2002) Electron transfer modeling in
condensed phase by molecular dynamics : Application to optically excited methylene
blue - guanine complex in water., J. Phys. Chem. B, 106, 176-184.
Fleurat-Lessard, P., Durupthy, O. & Volatron, F. (2002) Theoretical ab initio study of
Xenon pentafluoride anion. Mechanism of Xenon pseudorotation, Chem. Phys.
Letters, 363, 505-508.
Hiberty, P.C. & Shaik, S. (2002) BOVB - A Modern Valence bond method that
Includes dynamic correlation, Theor. Chem. Acc., 108, 255-272.
Justum, Y., Gatti, F., Lauvergnat, D., Nauts, A. & Chapuisat, X. (2002) Onedimensional quantum description of bending vibrations of HCN/CNH for high values
of total angular momentum, Spectrochimica Acta Part A, 58, 649-661.
** Keita, B., Jean, Y., Lévy, B., L. Nadjo & Contant, R. (2002) Toward a qualitative
understanding of the initial electron transfer site in Dawson-type heteropolyanions,
New J. Chem., 26, 1314-1319.
Lauvergnat, D., Justum, Y., Desouter-Lecomte, M. & Chapuisat, X. (2002) Wave
packet propagation for constrained molecular systems. Spectroscopic applications to
triatomic molecules, J. Mol. Struct. (Theochem), 577, 1-16.
Lauvergnat, D. & Nauts , A. (2002) Exact numerical computation of a kinetic energy
operator in curvilinear coordinates, J. Chem. Phys., 116, 8560-8570.
** Le Caër, S., Heninger, M., Pernot, P. & Mestdagh, H. (2002) Successive
reactions of iron carbonyl cations with dimethylether : direct cleavage versus
rearrangement, Phys. Chem. Chem. Phys., 4, 1855-1865.
** Le Caër, S., Pernot, P., Heninger, M. & Mestdagh, H. (2002) Influence of the
internal excitation of Fe(CO)2+ on its reactivity with dimethylether observed in Fourier
transform-ICR cell, Comptes Rendus Chimie, 5, 119-125.
31
Perreux, L., Loupy, A. & Volatron, F. (2002) Solvent-free preparation of amides from
acids and primary amines under microwave irradiation, Tetrahedron, 58, 2155-2162.
Shaik, S., Visser, S.P.d., Wu, W., Song, L. & Hiberty, P.C. (2002) Reply to Comment
on " Identity Hydrogen Abstraction Reactions, X + H-X' -> X-H + X' (X=X' = CH3,
SiH3, GeH3, SnH3, PbH3) : A Valence Bond Modeling", J. Phys. Chem. A, 106,
5043-5045.
Sivignon, G., Fleurat-Lessard, P., Onno, J.-M. & Volatron, F. (2002) Does backbonding involve bonding orbitals in boryl complexes? A theoretical DFT study, Inorg.
Chem., 41, 6656-6661.
Song, L., Wu, W., Dong, K., Hiberty, P.C. & Shaik, S. (2002) Valence Bond Modeling
of Barriers in the Nonidentity Hydrogen Abstraction Reactions, X'o + H-X -> X'-H +
Xo (X' # X = CH3, SiH3, GeH3, SnH3, PbH3), J. Phys. Chem. A, 106, 11361-11370.
Vaeck, N., Baloïtcha, E., Desouter-Lecomte, M. & Bacchus-Montabonel, M.-C.
(2002) Rate Coefficient Determination in Charge Transfer Reactions, Int. J. of Mol.
Sci., 3, 176-189.
2003
Blasco, S., Demachy, I., Jean, Y. & Lledos, A. (2003) A DFT study of the magnetic
properties and the iron-iron interaction in the Cp2Fe2(1-S2, -2-S2) and
Cp2Fe2(-(2, 1)-S2)2 isomers of Cp2Fe2S4 complexes", Theochem., sous presse.
Braïda, B. & Hiberty, P.C. (2003) A Simplified G2 Scheme for Determining Electron
Affinities of Covalent Bonds. Application to the Disulfide Bond RS-SR' (R, R' : H,
CH3, C2H5), J. Phys. Chem. A, sous presse.
** Heninger, M., Lauvergnat, D., Lemaire, J., Boissel, P., Mauclaire, G. & Marx, R.
(2003) Radiative lifetime of vibrationally excited N2H+ and N2D+ molecular ions, Int. J.
Mass. Spectrom., 223-224, 669-678.
Hiberty, P.C. & Shaik, S. (2003) Myth and Reality in the Attitude Toward Valence
Bond (VB) : Are its "Failures" Real? Helvetica Chim. Acta, sous presse.
Lasorne, B., Dive, G., Lauvergnat, D. & Desouter-Lecomte, M. (2003) Wave packet
dynamics along bifurcating reaction paths, J. Chem. Phys., 118, 5831-5840.
** Nicolas, C., Boutin, A., Lévy, B. & Borgis, D. (2003) Molecular simulation of a
hydrated electron at different temperatures and pressures, J. Chem. Phys., sous
presse.
** Pascual, P., Ungerer, P., Tavitian, B., Pernot, P. & Boutin, A. (2003) Development
of a transferable guest-host force field for adsorption of hydrocarbons in zeolites. I.
Reinvestigation of alkane adsorption in silicalite by grand canonical Monte Carlo
simulation, Phys. Chem. Chem. Phys., 5, 3684-3693.
32
** Renou, F., Mostafavi, M., Archirel, P., Bonazzola, L. & Pernot, P. (2003)
Solvated electron pairing with earth alkaline-metals in THF. I Formation and structure
of the pair with divalent magnesium, J. Phys. Chem. A., sous presse.
Shurki, A., Hiberty, P.C., Dijkstra, F. & Shaik, S. (2003) Aromaticity and
Antiaromaticity: What Role Do Ionic Configurations Play in Delocalization and
Induction of Magnetic Properties? J. Phys. Org. Chem., sous presse.
33
II. CONFERENCE PROCEEDINGS
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
Thissen R., Audier H., Mourgues P. & Chamot-Rooke J. Réexamen de la structure
des ions fragments C3H6O+° du 1,4-Dioxane ionisé "Journées Francaises de
Spectrométrie de masse", 8-10 septembre 1998.
Thissen R., Bushnell J., Alcaraz C. & Dutuit O., Role of the reactant internal energy
in bimolecular reactions applications to the ion-molecule chemistry of titan's
ionosphere, in “Jovian system after Galileo and Saturnian System before Cassini”
(Nantes), 11-15 mai 1998.
Alcaraz C., Thissen R., Jolly A., Drescher M. & Nahon L., First polarization
measurements of OPHELIE : a verstile polarization VUV undulator at Super-ACO, in
“Proceeding of the SPIE conference”, 3773, pp. 250-261,1999.
Thissen R., Alcaraz C., Bushnell J., Nicolas C. & Dutuit O., Effects of vibrational and
electronic excitation of ions on the photochemistry of Titan ionosphere, in “European
Geophysical Society, XXIV General Assembly” (The Hague, Pays-Bas), 19-23 avril
1999.
Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O., Photoionisation and
photodissociation of stereoisomers, in “Gordon conference : Structure, Energetics
and Reaction Dynamics of Gaseous Ions” (Ventura, USA), 28 février-5mars 1999.
Alcaraz C., Thissen R. & Dutuit O., MATI and synchrotron radiation : Ion-Molecule
reactions as a probe of state-selection, in “International Workshop on
Photoionisation” (Carry-le-Rouet), 8-12 octobre 2000.
Alcaraz C., Thissen R., Nicolas C. & Dutuit O., Study of state-selected N2+ ions :
dissociation and reactivity with methane, in “Conference proceedings of the 12th
Symposium on Atomic and Surface Physics and Related Topics (SASP 2000)”
(Folgaria, Italie), 30 janvier-5 février 2000.
Joblin C., Maillard J.P., Vauglin I., Pech C. & Boissel P., Probing the connection
between PAHs and hydrogen (H, H2) in the interstellar medium and in the laboratory,
in “H2 in Space”, F. Combes and G. Pineau des Forêts Eds. (Cambridge University
Press) 2000.
Joblin, C., Boissel, P., Pech, C., Armengaud, M. & Frabel, P. (2002) A piece of
interstellar medium in the laboratory : the PIRENEA experiment, in Infrared and
Submillimeter Space Astronomy, M. Giard ed., EDP Sciences, EAS Publications
Series, Vol. 4, p. 73.
34
Pech, C., Joblin, C., Boissel, P., Armengaud, M. & Frabel, P. (2002) Photophysics of
interstellar PAHs+ in the PIRENEA experiment, in Infrared and Submillimetre Space
Astronomy, M. Giard ed., EDP Sciences, EAS Publications Series, Vol. 4, p. 297.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Lachet V., Buttefey S., Tavitian B., Boutin A. & Fuchs A.H., Molecular simulation of
adsorption separation of xylene isomers in faujasite zeolites, in “Fundamentals of
Adsorption”, 6, pp. 879-884, (Elsevier)1998.
Krakoviack V. & Alba-Simionesco C., Schematic mode-coupling approach to
experimental data, in “Physics of glasses, structure and dynamics, AIP conference
489”, pp. 243,1999.
Tarjus G., Alba-Simionesco C., Ferrer M.-L., Sakai H. & Kivelson D., The viscous
slowing down of supercooled liquids as a temperature-controlled activated process.
Evidence and consequences, in “Slow dynamics in complex system, AIP Conference
proceedings 469 of the 8th Tohwa Symposium”, pp. 466, Eds. I. Oppenheim and M.
Tokuyama Eds.1999.
Roy P., Marcouille O., Paolone A., Giura P. & Gerschel A., New higher brilliance
sources of infrared synchrotron radiation: toward an edge radiation ondulator, in
“Proceedings of the 12th International Conference on Fourier Transform
Spectroscopy”, (Waseda University Enterprise Press (WUP))2000.
Equipe Transfert d’Electrons en Milieu Condensé (TEMiC)
Belloni J., Rémita H., Tréguer M. & Mostafavi M., Radiolytic synthesis of mono- and
bi-metallic nanoclusters, in “Trombay Symp. Radiation and Photochem.” (Mumbaï,
Inde), pp. 318-319, Janvier 1998.
Belloni J., Tréguer M., Rémita H. & Keyzer R. De, Effective quantum yield : new
approach of enhancement of the electron-hole pair escape, in “Proc. ICPS”
(Antwerpen, Belgique), pp. 243-247, Septembre 1998.
Belloni J., Rémita H., Marignier J.-L., Delcourt M.O. & Mostafavi M. Radiationinduced synthesis of metal clusters in solutions. Nuclearity effects and aplications
"Proc. 11th Int. Congress of Radiat. Research" (Dublin, Irlande), juillet 1999.
Ruhlmann L., Messerschmidt C., Zimmermann J. & Fuhrhop J.–H., Rigid angström
clefts in lipids membrane on solid surfaces, in “Supramolecular Chemistry”, series
NATO ASI Eds. (Kluwer Academic Publishers, Dordrecht, Netherland)1999.
Tréguer M., Rémita H., Khatouri J. & Belloni J. Redox kinetics of carbonyl platinum
clusters studied by pulse radiolysis "Proc. 11th Int. Congress of Radiat. Research"
(Dublin, Irlande), 2, pp 89-92, 1999.
35
Audette M., Cudic M., Blouquit Y., Ducrocq C. & Houée-Levin C., Reactivity of
tyrosine residues in peptides and proteins, in “11th ICRR”, 2000.
Belloni J., M. Tréguer, Rémita H. & Keyzer R., Enhancement of the electron-hole
pair escape in AgX decrystals, in “Trombay Symposium on Radiation and
Photochemistry” (Trombay, Inde), pp. 362-369, janvier 2000.
Belloni J., Tréguer M., Rémita H. & de Keyzer R., Enhanced yield of photo-induced
electrons in doped silver-halide crystals, in “Proc. Prospects for Application of
Radiation toward the 21 th Century” (Tokyo, Japon), mars 2000.
François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P., Size-dependent
efficiency of optical limiting induced by gold cluster, in “Proc. Venice Congress on
Nonlinear Optics”,2000.
Lampre I. & Mostafavi M., Pulse radiolysis study of AgCl4- reduction in solution, in
“Trombay Symposium on Radiation and Photochemistry” (Mumbaï, Inde), pp. 356361, janvier 2000.
Pommeret S., Gobert F., Haidar R., Buguet S., Vigneron G., Mialocq J.C., Mostafavi
M., Lampre I. & Pernot P. Interaction of terawatt laser pulses with neat water, The
12th Int. Conf. on Ultrafast Phenomena, OSA Technical Digest (Optical Society of
America, Washington DC), 489-491, 2000.
Belloni, J., Mostafavi, M., Rémita, H. & Marignier, J.L. (2002) Contribution of
radiation chemistry to cluster science and applications, in International Symposium
on Scientific and Industrial NanotechnologySanken.
Marignier, J.L. (2003) L'accélérateur d'électrons picoseconde ELYSE à Orsay.
Sixième Colloque sur les Sources Cohérentes et Incohérentes UVX 2002, in Sixième
Colloque sur les Sources Cohérentes et Incohérentes UVX 2002J. Phys. IV (Editions
de Physique) in press..
36
III. CONFERENCES INTERNATIONALES INVITEES
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
Dutuit O., Alcaraz C., Palm H. & Thissen R. State-selected ion-molecule reaction
with synchrotron radiation "SASP (Symposium on Atomic and Surface Physics and
Related Topics), Progress Report" (Going, Autriche), pp 3-7 à 3-9, 25-30 janvier
1998.
Dutuit O., Alcaraz C. & Thissen R. State-selected ion-molecule reaction studied with
synchrotron radiation "French-Taiwanese Workshop on Molecular Dynamics of
Alkali/Hydrogen Reactions" (Orsay), 12-14 octobre 1998.
Lemaire J., Heninger M., Marx R. & Mauclaire G. Excitation of C60+ by electrons in a
FTICR ion trap : an experimental determination of the radiative cooling rate through
its competition with C2 evaporation "Atelier pluridisciplinaire franco-chinois" (Hefei,
Chine), 19-24 septembre 1998.
Maître P. Gas phase organometallic chemistry : joint experimental and theoretical
approach "Pour une synergie entre la théorie et l'expérience : application à la
réactivité en chimie organique" (Louvain-la-Neuve, Belgique), juin 1998.
Dutuit O. State-selected ion-molecule reaction studied with synchrotron radiation "5th
Gordon Research Conf. on “Structure, Energies and Dynamics of Gaseous Ions”"
(Ventura, California, USA), 5 février-5 mars 1999.
Dutuit O., Alcaraz C. & Thissen R. State-selected ion-molecule reaction with small
hydrocarbons studied with synchrotron radiation "Conference on “Molecular Energy
Transfer”" (Assisi, Italie), 20-25 juin 1999.
Mauclaire G., Lemaire J., Heninger M. & Marx R. Excitation of C60+ by electrons in a
Fourier transform ion cyclotron resonance ion trap : an experimental determination of
the radiative cooling rate through its competition with C2 evaporation "5th European
Fourier Transform Mass Spectrometry Workshop" (University of Warwick, Coventry,
U.K.), 16-18 septembre 1999.
Thissen R. The use of few-bunch mode at LURE how, who and outcomes.
Présentation of the various types of experiments "Bessy Users Meeting", 9-10
décembre 1999.
Dutuit O. State-selected ion-molecule reaction studied with synchrotron radiation in
LURE "INF Meeting (National Conference on Physics of Matter)" (Genova, Italie),
12-16 juin 2000.
Dutuit O., Synchrotron radiation studies of ion-molecule reactions in the atmosphere
of Titan, in “SALA (Synchrotrons, Accelerators and Laboratory Astrophysics)”
(Aarhus, Danemark), 30 août-1er septembre 2000.
37
Thissen R., Alcaraz C. & Dutuit O., State-selected ion dissociation studied with
synchrotron radiation, in “International Conference on Molecular Beam” (Rome,
Italie), 3-8 juin 2001.
Alcaraz, C., Nicolas, C., Thissen, R., Zabka, J. & Dutuit, O. (2002) State-selected
ion-molecule reactions of planetary interest, International Workshop on
Photoionization (IWP2002). Hyogo, Japan, 22-26 august, Spring-8.
Maître, P., Le Caër, S., Simon, A., Jones, W., Lemaire, J., Mestdagh, H., Heninger,
M., Mauclaire, G., Boissel, P., Glotin, F. & Ortega, J.-M. (2002) First ultrasensitive
spectroscopy of ionic reactive intermediates in gas phase performed by coupling of
an IR FEL with an FT-ICR (conférence invitée), 9th free-electron laser workshop.
Chicago, USA, September.
Mestdagh, H., Dutuit, O., Thissen, R., Alcaraz, C. & Heninger, M. (2002)
Fragmentation and reactivity of energy-selected ferrocenium ions, XIIIth Symposium
on Atomic, cluster and Surface Physics, SASP 2002. Going (Autriche), 17-22 février.
Nicolas, C., Zabka, J., Thissen, R., Dutuit, O. & Alcaraz, C. (2002) Ion internal
excitation and CO2++ reactivity : Effect on the Titan, Mars and Venus ionospheric,
27th General Assembly of the European Geophysical Society. Nice, France, 21 - 26
April.
Thissen, R., Dutuit, O. & Alcaraz, C. (2002) Dissociation and reactivity of molecules
of biological relevance ; recent results obtained on CERISES set-up coupled to
synchrotron radiation, Molecules of Biological Interest in the Gas Phase EuroConference on Fundamental Studies and Applications. Wildbad Kreuth
Germany, 21 - 26 July.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Alba-Simionesco. Relaxation processes in glassforming liquids under pressure by
inelastic neutron scattering experiments "4th International Workshop on "Quasielastic neutron scattering"" (Nyköping, Suède), août 1998.
Alba-Simionesco C. Temperature or density as the control variable for the glass
transition in supercooled molecular liquids "2nd Workshop on “Non equilibrium
phenomena in supercooled fluids, glasses and amorphous materials”" (Pise, Italie),
septembre 1998.
Alba-Simionesco C. Relaxation processes in glass forming liquids under pressure by
inelastic neutron scattering experiments. "4th International Workshop on “QuasiElastic Neutron Scattering”" (Nyköping, Suède), août 1998.
Fuchs A.H. Molecular fluids in confined geometries "CECAM workshop : “Algorithms
for simulating complex molecular systems”" (ENS Lyon), 28 Avril 1998.
38
Fuchs A.H. Simulating molecular fluids in confined geometries "London Atomistic
Simulation Group Meeting" (Imperial College, Londres), 15 septembre 1998.
Fuchs A.H. A model for the static friction behavior in nanolubricated contacts
"Wilhelm Heinrich Heraeus und Else Heraeus-Stiftung, WE-Heraeus Seminar 203:
"Nanostructured Soft Matter : recent developments and perspectives"" (Bad Honnef,
Allemagne), 16-18 septembre 1998.
Fuchs A.H. The stick-slip phase transition in confined solidlike films from an
equilibrium perspective "5th Liblice Conference on Statistical Physics of liquids"
(Zelezna Ruda, République Tchèque), 8 juin 1998.
Fuchs A.H. Molecular simulation of the adsorptive separation of xylene isomers in
faujasite zeolites "6th International Conference on Fundamental of Adsorption"
(Giens), 28 Mai 1998.
Rousseau B. Thermal diffusion : A comparison between molecular dynamics
simulations using a simple and a realistic model "Third International Meeting on
Thermal diffusion - RIT3" (Mons), septembre 1998.
Szwarc H. La pérdida de la certidumbre en la ciencia "Ciencia y Conciencia.
Realidad del Problema de las dos Culturas" (Fundación Complutense de l'Université
Complutense, El Escorial, Espagne), août 1998.
Alba-Simionesco C. Neutron scattering from glassforming liquids under high
pressure " XXVII International Meeting on “Dynamical properties of Solids”" (Tours),
septembre 1999.
Alba-Simionesco C. Quasielastic neutron scattering of molecular liquids and glasses
under high pressure "2nd European Conference on “Neutron Scattering”" (Budapest,
Hongrie), septembre 1999.
Alba-Simionesco C. Temperature and density dependences on the relaxational
properties of glassforming liquids by inelastic neutron scattering experiments
"Journées Verres-Physics of Glasses" (Montpellier), novembre 1999.
Fuchs A., Adsorption and transport of molecules in zeolites : how much should we
worry about the accuracy of the adsorbent-adsorbate potential ?, in “Workshop
CECAM "Diffusion of host molecules in zeolites"” (ENS Lyon), 4-8 octobre 1999.
Fuchs A.H. Molecular simulation as a tool for predicting thermophysical properties of
molecular fluids "JETC 6 (Journées Européennes de Thermodynamique
Contemporaine)" (Carry le Rouet), 13-15 septembre 1999.
Fuchs A.H. Do we need to worry about the accuracy of the zeolite-adsorbate
potential function in molecular simulations of adsorption and diffusion processes?
"Workshop du CECAM, “Adsorption and transport in zeolites”" (ENS Lyon), 4-8
octobre 1999.
39
Ungerer P., Molecular Simulations, in “17th European Seminar on Applied
Thermodynamics” (Vilamoura, Portugal), 13-16 juin 1999.
Alba-Simionesco C. Quantitative tests on experimental data of several theoretical
approaches of the glass transition in supercooled liquids "Workshop II
on"Supercooled liquids and Glass tansition"" (Roskilde, Danemark), mai 2000.
Alba-Simionesco C. High pressure experiments on polymers and molecular liquids
by neutron scattering "Workshop on : Future perspectives for understanding the
unsolved problem of the glass-transition by neutron scattering and computer
simulation" (San Sebastian, Espagne), juin 2000.
Frick B. & Alba-Simionesco C. "Future perspectives for understanding the unsolved
problem of the glass transition" (San Sebastian, Espagne), juin 2000.
Fuchs A. Adsorption and diffusion of host molecules in zeolites as studied by
classical molecular simulation "CAT 2000" (La Colle-sur-Loup), mai 2000.
Fuchs A., Monte Carlo simulations of nanoconfined alkane films - Physical chemistry
in confining geometries, from single molecules to mesoscopic systems, in
“International discussion meeting - Bunsen-Geselschaft fur Physikalische Chemie”
(Berlin, Allemagne), 20-23 septembre 2000.
Fuchs A.H. Properties of thin alcanes filters in confined geometries "Int. Meeting
Physical Chemistry in confining geometries" (Berlin), 20-22 septembre 2000.
Tölle A., Alba-Simionesco C., Morineau D., Coddens G. & Farago B., Neutron
Scattering Studies of the Glass Transition in Toluene and m-Toluidine, in “QENS
2000” (Edimbourg, U.K.), août 2000.
Alba-Simionesco C., Chauty A. & Frick B. Relaxation processes of polymer melts
under pressure "4th IDMRCS, Hersonissos" (Crête, Grèce), juin 2001.
Alba-Simionesco C., Morineau D., Frick B. & Bellissent-Funel M.-C. Structure and
Dynamics of glassforming liquids under pressure "ILL millenium symposium"
(Grenoble, France), avril 2001.
Alba-Simionesco C., Morineau D., Teboul V. & Tölle A. Local order and Dynamics of
glassforming molecular liquids "DYPROSO" (Kerkrade, Hollande), septembre 2001.
Fuchs A.H., Adsorption of water and aromatics in faujasite zeolites by Monte Carlo
simulations, in “Fundamental Of Adsorption 7 (FOA7)” (Nagasaki, Japon), 20-25 mai
2001.
Fuchs A.H., Effect of surface roughness on the structure of confined fluid films, in
“SIMU/ESF International Conference "Bridging the time scale gap"” (Konstanz,
Allemagne), 10-13 septembre 2001.
40
Fuchs A.H., Molecular simulation of adsorption of guest molecules in zeolitic
materials, in “Int. Symposium on the Statistical Mechanics of Adsorption” (Imperial
College, Londres, U.K.), 3 octobre 2001.
Teboul V. & Alba-Simionesco C. Dynamics in two confined supercooled molecular
liquids : results from coherent neutron scattering and molecular dynamics
simulations "8th International Workshop on Disordered Systems" (Andalo, Italie),
mars 2001.
Alba-Simionesco, C. (2002) Neutrons for Scandinavian Science and Technology,
Structure and Dynamics of glassforming liquids at the atomic and mesoscopic level.
Lund, Suède, mai.
Alba-Simionesco, C. (2002) Spectroscopic investigation of the collective dynamics in
disordered systems, Experimental Thermodynamics of glassforming Liquids, Abdus
Salam ICTP. Trieste, Italie, juin.
Alba-Simionesco, C., Dosseh, G., D.Morineau, V.Teboul & Xia, Y. (2002) Influence
of confinement on the slowing down of relaxations and the glass transition of
molecular liquids in mesoporous materials, Slow dynamics and the glass transition.
Bangalore, Inde, 6-9 janvier.
Boutin, A. (2002) Adsorption of water and aromatics in faujasite zeolites. A molecular
simulation study, Workshop UCSB-CNRS "Self assembly in materials science".
Paris, 23-24 avril.
Fuchs, A. (2002) Adsorption of water in faujasites. A molecular simulation studies,
Characterization of Porous Solids (COPS VI). Alicante, Espagne, mai.
Fuchs, A. (2002) Molecular simulation techniques as tools for studying
thermodynamic and transport properties of complex systems, Fundamental and New
Perspectives in Thermodynamics. Udine, Italie, février.
Rousseau, B. (2002) Thermal diffusion in binary fluid mixtures : what can we learn
from molecular simulations ? (conférencier invité), 6th Liblice Conference on the
Statistical Mechanics of Liquids. Spindleruv Mlyn, Krkonose National Park, Czech
Republic, 9-14 juin.
Ungerer, P. (2002) Applications of molecular simulation to process development and
materials design, 19th European Seminar on Applied Thermodynamics. Santorin,
Grèce, 6-10 septembre.
Ungerer, P. (2002) Determination of thermodynamic properties from molecular
simulation, 15th International Congress of Chemical and Process Engineering
(CHISA). Prague, 25-29 août.
Ungerer, P. (2002) Force field development and validation, AIChE fall meeting.
Indianapolis, USA, 3-8 novembre.
41
Ungerer, P. (2002) Present status of Anisotropic United Atoms potentials, 6th Liblice
Conference on the statistical mechanics of liquids. Spinlerup Mlyn, République
tchèque, juin.
Equipe Transfert d’Electrons en Milieu Condensé (TEMiC)
Belloni J. Metal clusters (Maria Sklodowska-Curie Medal Award) "Ann. Meeting
Polish Soc. Radioactive Res." (Siedlce, Pologne), avril 1998.
Belloni J. Project ELYSE of picosecond pulse radiolysis in Orsay "Workshop Res.
Needs Opport. Rad. Chem., DOE" (Chesterton, In., USA), avril 1998.
Belloni J. The scientific personnality of Marie Sklodowska-Curie "100 Years after the
Discovery of Po and Ra" (Varsovie, Pologne), février 1998.
Belloni J., Liu Y.-P., Zhang H.-G., Mostafavi M. & Rémita H. Radiation-induced
metal and ionic cluster chemistry : recent developments "Atelier franco-chinois,
Université Paris-Sud, USTC" (Hefeï, Chine), septembre 1998.
Belloni J., Rémita H., Marignier J.-L. & Mostafavi M. Radiation-induced synthesis
and applications of mono- and bi-metallic nanocolloids or supported clusters "IndoFrench Work. Radiat. and Photochem." (Pune, Inde), janvier 1998.
Belloni J., Tréguer M., Rémita H. & Keyzer R. De. Effective quantum yield : new
approach of enhancement of the electron-hole pair escape "“Proc. ICPS”"
(Antwerpen, Belgique), septembre 1998.
Marignier J.-L. Photopolymérisation de l'asphalte. Applications aux procédés
photomécaniques après 1850 "Actes du Colloque International Nicéphore Nièpce,
une nouvelle image" (Chalon/Saône), janvier 1998.
Marignier J.-L., Lin M.Z. & Dokutchaev A.D. Synthesis and studies of metal
nanoaggregates produced by radiolysis in solution and in microheterogeneous
systems "Atelier franco-chinois Université Paris-Sud / USTC" (Hefeï, Chine),
septembre 1998.
Mostafavi M. Dose rate effect on the size and the structure of metal and semiconductor clusters "Gordon Conference on Radiation Chemistry" (Newport, RI, USA),
juillet 1998.
Belloni J. Thermodynamics of metal atoms and clusters in solution. Nuclearity effects
and applications "195th Meeting Electrochem. Soc." (Seattle, USA), mai 1999.
Belloni J., Gaillard M., Bourdon J.-C., Monard H., Mostafavi M. & Marignier J.-L.,
New picosecond electron accelerator ELYSE at Orsay Paris-Sud University, in “Miller
Conference” (Doorwerth, Pays-Bas), mai 1999.
42
Belloni J., Rémita H., Marignier J.-L., Delcourt M.O. & Mostafavi M. Radiationinduced synthesis of metal clusters in solutions. Nuclearity effects and aplications
"Proc. 11th Int. Congress of Radiat. Research" (Dublin, Irlande), juillet 1999.
Belloni J., Tréguer M., Keyzer R. De & Rémita H. Mechanism of silver cluster
formation in the photographic latent image : enhancement of electron-hole pair
escape from recombination. "Miller Conf." (Doorwerth, Pays-Bas), mai 1999.
Dokutchaev A. & Marignier J.-L., Pulse Radiolysis Study of the Kinetics of Formation
of Silver Aggregates in AOT Reverse Micelles, in “Miller Conference” (Doorwerth,
Pays-Bas), mai 1999.
Rémita H., Tréguer M., Khatouri J. & Belloni J. Redox kinetics of carbonyl platinum
clusters studied by pulse radiolysis "Miller conference" (Doorwerth, Pays-Bas), mai
1999.
Tréguer M., Rémita H., Khatouri J. & Belloni J., Redox kinetics of carbonyl platinum
clusters studied by pulse radiolysis, in “Proc. 11th Int. Congress of Radiat. Research”
(Dublin, Irlande),1999.
Amouyal E. & Lainé P., Polypyridine complexes of ruthenium(II) and osmium(II) with
new electron acceptor ligands of triarylpyridinium type, in “Thirteenth International
Conference on Photochemical Conversion and Storage of Solar Energy”
(Snowmass, USA), juillet-août 2000.
Belloni J., Discussion leader of "Metal and semiconductor" session, in “Puls'2000
Radiation Chemistry” (Leba, Pologne), 9-14 septembre 2000.
Belloni J., Gaillard M., Marignier J.-L., Mostafavi M., Monard H. & Bourdon J.-C., A
new laser photocathode RF electron gun in Orsay, in “Workshop on Pulse Electron
Accelerators” (Osaka, Japon), 8-12 mars 2000.
Belloni J., Gaillard M. , Monard H., Lampre I., Mostafavi M., Marignier J.L., Gravey T.
& Bourdon J.C., ELYSE : a new picosecond pulse radiolysis facility for physical
chemistry at Orsay, in “Satellite Meeting on Pulse Radiolysis Facilities” (Tokaï-Mura,
Japon), mars 2000.
Belloni J., Tréguer M., Rémita H. & de Keyzer R. Enhanced yield of photoinduced
electrons in doped silver-halide crystals "International Symposium “Prospect for
Application of Radiation toward the 21st Century”" (Waseda University, Tokyo,
Japon), 13-17 mars 2000.
Belloni J., Tréguer M., Rémita H. & de Keyzer R, Enhancement of the electron-hole
pair escape in AgX crystals, in “Trombay Symposium on Radiation and
Photochemistry” (Trombay, Inde), janvier 2000.
43
Belloni J., Tréguer M., Rémita H. & de Keyzer R., Enhanced quantum yield in doped
silver-bromide crystals, in “Int. Symp. Small Particles and Inorg. Clusters” (Atlanta,
USA), 11-15 octobre 2000.
Belloni J., Tréguer M., Rémita H. & de Keyzer R., Enhancement of the electron-hole
pair escape in AgX crystals, in “Gordon Conference on Radiation Chemistry”
(Plymouth, USA), 25-30 juin 2000.
El Hanine C., Conte D., Jacquot J.-P. & Houée-Levin C., One-electron redox
properties of thioredoxin, in “5th international conference on thioredoxins and related
proteins” (Smolenice, Slovaquie), 19-22 septembre 2000.
Grzesiak S. & Marignier J.L. Réactivité des agrégats d'argent formés dans des
cristallites de AgCl en suspension dans l'eau "Journées d'Etude de Chimie sous
Rayonnements" (Houffalize, Belgique), mai 2000.
Houée-Levin C. Oxydation des résidus tyrosine dans le lysozyme et dans la
thioredoxine "Journées d'Etude de la Chimie sous Rayonnement (JECR)" (Belgique),
mai 2000.
Houée-Levin C., One-electron redox processes in proteins : aqueous solution and
solid phase, in “Gordon Conference on Radiation Chemistry”, juin 2000.
Lampre I. & Mostafavi M. Reduction of AgCl4- "Trombay Symposium on Radiation
and Photochemistry" (Trombay, Inde), janvier 2000.
Lampre I., Pernot P. & Mostafavi M. Propriétés spectrales et potentiels redox de
complexes chlorés d'argent en solution aqueuse "Journées d'Etude de Chimie sous
Rayonnements" (Houffalize, Belgique), mai 2000.
Marignier J.L. L'accélérateur du Projet ELYSE "Journées d'Etude de Chimie sous
Rayonnements" (Houffalize, Belgique), mai 2000.
Mostafavi M. Reduction of AgCl4- "Electron transfer" (Tsukuba, Japon), mars 2000.
Mostafavi M., Optical limitation of gold clusters, in “PhotoChemistry PhotoMaterials
2000” (Tsukuba, Japon), mars 2000.
Mostafavi M. Clusters Métalliques et semiconducteurs induits par radiolyse
"Journées Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.
Mostafavi M., Semiconductor and metal clusters induced by irradiation. Application to
optical limitation, in “Puls'2000 Radiation Chemistry” (Leba, Pologne), 9-14
septembre 2000.
Mostafavi M. & Renou F., Reactivity of solvated electron toward the divalent
magnesium in water and organic solutions, in “Puls'2000 Radiation Chemistry”
(Leba, Pologne), 9-14 septembre 2000.
44
Pommeret S., Gobert F., Haidar R., Buguet S., Vigneron G., Mialocq J.C., Mostafavi
M., Lampre I. & Pernot P., Interaction of terawatt laser pulses with neat water, in
“Puls'2000 Radiation Chemistry” (Leba, Pologne), 9-14 septembre 2000.
Pommeret S., Gobert F., Mostafavi M., Lampre I. & Mialocq J.C., Femtochemistry of
hydrated electron at decimolar concentration, in “Int Conf. Real Time Probing of
Elementary Chemical Processes in Liquids” (GDR Paris), octobre 2000.
Pommeret S., Gobert F., Mostafavi M., Lampre I. & Mialocq J.C., Femtochemistry of
hydrated electron at decimolar concentration, in “ESF Ultra Programme” (Coïmbra,
Portugal), octobre 2000.
Rémita H. Catalyseurs préparés par voie radiolytique "Journées d'Etude de Chimie
sous Rayonnements" (Houffalize, Belgique), mai 2000.
Renou F. & Mostafavi M. Reduction de MgII en solutions aqueuse et organique
"Journées d'Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai
2000.
Belloni J., Enhancement of the quantum yield in the photographic latent image
formation, in “Symposium on Recent Trends in Photochemical Sciences”
(Trivandrum, India), janvier 2001.
Belloni J. Miller Conference on Radiation Chemistry (Windermere, U.K.), avril 2001.
Belloni J. French-Japanese Workshop on Nanomaterials (Paris, France), octobre
2001.
Mostafavi M. Semiconductor and metal clusters induced by irradiation "22nd Miller
Conference on radiation chemistry" (Cumbria, U.K), avril 2001.
Amouyal, E. (2002) Photoinduced electron transfer in new polyad systems based on
ruthenium(II) and osmium(II) terpyridine complexes (Invitation), Fourteenth
International Conference on Photochemical Conversion and Storage of Solar
Energy. Sapporo (Japon), août.
Belloni, J. (2002) Contribution of Radiation Chemistry to cluster science and
applications, (Invitation), Voevodsky Symposium. Novosibirsk, july.
Belloni, J. (2002) Contribution of Radiation Chemistry to Cluster Science and
Applications, (Invitation), International Symposium on Scientific and Industrial
Nanotechnology 2002 (ISSIN-2002). Osaka, Japon, 12-14 dec.
Belloni, J. (2002) Enhanced yield of photo-induced electrons in doped silver-halide
crystals. Photographic applications, (Invitation), 10th Tihany Conference. Sopron,
Hongrie, septembre.
45
Belloni, J. (2002) Gordon Conference on Radiation Chemistry (Vice-Prés.).
Waterville, USA, Juin.
Belloni, J. (2002) Int. Conf. Imaging Science (Invitation). Tokyo, Japon, mai.
Belloni, J. (2002) Les Journées d'Etude de Chimie sous Rayonnement, bilan et
perspectives, (Vice-Prés.), JECR. Kenitra, Maroc, mai.
Marignier, J.L. (2002) L'accélérateur picoseconde ELYSE à Orsay, JECR. Kenitra,
Maroc, mai.
Marignier, J.L. (2002) The photographic process invented by Niepce, (Invitation),
International Meeting on the World First Photograph, Getty Institute of Conservation.
Los Angeles, USA, juin.
Mostafavi, M. (2002) Radiolyse pulsée des ions d'argent à haute température, JECR.
Kenitra, Maroc, mai.
Rémita, H. (2002) Clusters moléculaires de platine : synthèse radiolytique et étude
des propriétés redox, JECR. Kenitra, Maroc, mai.
Rémita, H. (2002) Platinum carbonyl clusters : redox kinetics and applications,
Workshop on Radiation and Photochemistry. University of Pune, India, janvier.
Rémita, H., Tréguer, M., Pernot, P. & Belloni, J. (2002) Redox properties of platinum
carbonyl clusters studied by radiolysis and applications, Pune Workshop on
Radiolysis (Invitation). Pune, Inde, janvier.
Rémita, H., Tréguer, M., Pernot, P. & Belloni, J. (2002) Redox properties of platinum
carbonyl clusters studied by radiolysis and applications, Third Asian Photochemistry
Conference (Invitation). Bombay, Inde, janvier.
Renou, F. (2002) Etude de la réactivité entre électron solvaté et les perchlorates
d'alcalino-terreux (Mg, Ca, Sr) dans le THF. Formation de paires (e-, MII), JECR.
Kenitra, Maroc, mai.
Renou, F. & Mostafavi, M. (2002) Reactivity of solvated electrons towards earthalkaline metal cations, (Invitation), Gordon Conference on Radiation Chemistry.
Waterville, USA, juin.
Schmidhammer, U., De Waele, V. & Riedle, E. (2002) Wavepacket dynamics and
ultrafast reactive processes of dihydroazulene photochromic compounds, XXVI
European Congress on Molecular Spectroscopy. Villeneuve d'Ascq, France,
septembre.
Groupe Chimie Théorique (CTh)
46
Blasco S., Y.Jean, Demachy I. & Lledos A. Theoretical study of the coordination
modes of Cp2Fe2S4 bimetallic complexes "à l'invitation du CESCA" (Université
Autonome de Barcelone), juillet 2000.
Hiberty P.C., Description théorique de la liaison à trois électrons. Analyse critique
des méthodes les plus courantes, in “26ème Congresso Internacional dos Quimicos
Teoricos de Expressao Latina (QUITEL)” (Caxambu, Brésil), septembre 2000.
Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. A harmonic Adiabatic
Approximation (HADA) to calculate highly excited vibrational levels of "floppy
molecules" "PRAHA2000 (The 16th International Conference on High Resolution
Molecular Spectroscopy)" (Prague, République Tchèque), du 03/09 au 07/09 2000.
Blasco S., Demachy I., Jean Y. & Lledos A. Phosphine exchange in a quadruply
bonded metal dimer "21ème congrès des chimistes d'expression latine CHITEL"
(Toulouse), septembre 2001.
Braïda B. Effets du substituant méthyle dans les liaisons à trois électrons "21ème
congrès des chimistes d'expression latine CHITEL" (Toulouse), septembre 2001.
Jean Y., Structure of quadruply bonded tansition metal dimers of the Mo2Cl4(P-P)2
type and theoretical proposals for ligands exchange mechanisms, in “International
symposium : Electronic Structure and Chemical Reactivity” (Barcelone, Espagne),
septembre 2001.
Demachy, I. (2002) Phosphine exchange mechanisms in quadruply bonded
complexes Mo2Cl4(R2P-CH2-CH2-PR2)2', Concoord-Gecom 2002. Paris, 13 au 17
mai.
Hiberty, P.C. (2002) 12th European Seminar on Computational Methods in Quantum
Chemistry. Utrecht, 18-22 septembre.
Nauts, A. & Lauvergnat, D. (2002) Exact numerical computation of a kinetic energy
operator in curvilinear coordinates, with applications to "ab initio" spectroscopy and
dimensionality reduction, 17th International Conference on High Resolution
Molecular Spectroscopy. Prague, République Tchèque, 1-5 septembre.
IV. CONFERENCES NATIONALES INVITEES
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
Boissel P. Etude expérimentale de cascades de photodissociation conduisant à la
destruction totale des cations PAH Colloque Général du Programme National de
Physique et Chimie du Milieu Interstellaire (Toulouse, France), septembre 1998.
Thissen R., Audier H., Mourgues P. & Chamot-Rooke J. Réexamen de la structure
des ions fragments C3H6+° du 1,4-Dioxane ionisé "Journées Francaises de
Spectrométrie de masse", 8-10 septembre 1998.
47
Mestdagh H., Heninger M. & Le Caër S. Etude expérimentale de l'influence des
ligands sur la réactivité de complexes cationiques du fer en phase gazeuse "7ème
Rencontre des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre
2000.
Alcaraz, C., Nicolas, C., Thissen, R., Zabka, J., Dutuit, O., Witasse, O., Lilensten, J.
& Blelly, P.-L. (2002) Effet de l'excitation des ions sur la chimie des ionosphères
planétaires : Mars et Titan, XIXème journées française de spectrométrie de masse.
Chaville, France, 17-20 septembre.
Maître, P. (2002) Caractérisation de l'activation du méthane par un métal de
transition : chimie quantique et expériences en phase gazeuse, 8ème réunion des
chimistes théoriciens français. Strasbourg, France, 20-25 septembre.
Thissen, R., Zabka, J., Roithova, J., Franceschi, P., Alcaraz, C., Dutuit, O., Herman,
Z., Bassi, D., Witasse, O., Lilensten, J. & Blelly, P.-L. (2002) Mesures des constantes
de vitesse absolue pour les réactions entre le dication moléculaire CO2++ et les
constituants neutres de l'atmosphère martienne, Colloque du Programme National
de Planétologie. Nantes, 10-12 septembre.
Thissen, R., Zabka, J., Roithova, J., Franceschi, P., Lecas, S., Alcaraz, C., Dutuit,
O., Herman, Z., Bassi, D., Witasse, O., Lilensten, J. & Blelly, P.-L. (2002) Réactions
entre le dication moléculaire CO2++ et les constituants neutres de l'atmosphère
martienne, XIXème journées française de spectrométrie de masse. Chaville, France,
17-20 septembre.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Fuchs A.H. Transitions de phase dans des films ultraminces confinés "Journées
Ordre-Désordre" (Orsay), 30 mars 1998.
Fuchs A.H. La simulation moléculaire comme outil pour la caractérisation et la
prédiction de propriétés physico-chimiques des matériaux poreux "Congrès du
Groupe Français des Zéolithes (GFZ)" (Carry le Rouet), 2-25 mars 1999.
Morineau D. Structural properties of confined glass-forming liquids in mesoporous
MCM-41 "Journées du GDR "Cristaux liquides en géométrie confinée"" (Garchy), 25 novembre 1999.
Fuchs A.H. Modélisation et simulation du comportement de fluides moléculaires
confinés "7ème Réunion des Chimistes Théoriciens Francophones" (Gruissan), 1013 octobre 2000.
Ungerer P., Possibilités de la simulation moléculaire pour les calculs d'équilibres de
phase, in “XXVIèmes Journées d'étude des équilibres entre phases” (Marseille), 2324 mars 2000.
48
Alba-Simionesco C., Dosseh G., Morineau D., Teboul V. & Xia Y. Propriétés
structurales et dynamiques du Toluène confiné dans des matrices mésoporeuses
"JDN 10" (Tregastel, France), 2001.
Hadjkali, M., Joulia, V., Gerbaud, V., Boutin, A., Ungerer, P., Mijoules, C. & Roques,
J. (2002) Application de la simulation moléculaire dans l'ensemble de Gibbs pour la
prédiction de l'équilibre liquide-vapeur de l'acétonitrile dans le but de déterminer des
paramètres énergétiques génériques pour le groupement nitrile au sein du modèle
AUA, SIMMO 2002. Toulouse, France, 24-25 octobre.
Transfert d’Electrons en Milieu Condensé (TEMiC)
Belloni J. Résultats récents sur les clusters métalliques "“JECR 98”" (Bonascre), juin
1998.
Belloni J. La personnalité scientifique de Marie Sklodowska-Curie "Centenaire de la
Découverte de la Radioactivité" (Université Pierre et Marie Curie (Paris), avril 1998.
Audette M., Blouquit Y. & Houée-Levin C. Processus initiés par oxydation de résidus
tryptophane dans les protéines "Colloque “le transfert d’électron dans les systèmes
biologiques”" (Paris), novembre 1999.
Amouyal E. Photophysique de composés de coordination et de systèmes
moléculaires de type polyade. Photonique moléculaire "Réunion d'automne du
Groupe de Photochimie Français" (Cachan), novembre 2000.
Belloni J. La Photographie, Développements récents "Congrès d'Astronomie" (Cité
des Sciences, La Villette), avril 2000.
Belloni J. La Photographie, Développements récents "Ecole d'Eté du GDR Agrégats"
(Les Houches), juillet 2000.
Belloni J. GDR Acte chimique élémentaire (Pont-à-Mousson), décembre 2001.
Krolicki R., Jarzeba W., Lampre I. & Mostafavi M. Solvatation de la coumarine 153
dans des mélanges de toluène/acétonitrile et toluène/méthanol "GDR 1017 Pico- et
Femtochimie en Phase Liquide" (Pont à Mousson, France), 3-5 décembre 2001.
Renou F. & Mostafavi M. Réactivité entre l'électron solvaté et les alcalino-terreux
dans le tétrahydrofuranne "GDR 1017 Pico- et Femtochimie en Phase Liquide 2001"
(Pont à Mousson, France), 3-5 décembre 2001.
Amouyal, E. (2002) Photochimie supramoléculaire et complexes de coordination,
Sixième Colloque sur les Sources Cohérentes et Incohérentes UV, VUV et X :
Applications et Développements Récents (conférence invitée). Ile d'Oléron, juin.
Amouyal, E. & Lainé, P. (2002) Transfert d'électron photoinduit dans des polyades à
base de complexes terpyridiniques de ruthénium (II) et d'osmium (II), Groupe
Français de Photochimie, Jubilé de Henri Bouas-Laurent. Bordeaux, mai.
49
De Waele, V., Schmidhammer, U. & Riedle, E. (2002) Dynamique de paquets d'onde
et mécanismes réactionnels ultra-rapide de composés photochromes, Pico- et
femtochimie en phase liquide, GDR 1017. Pont-à-Mousson, décembre.
Marignier, J.L. (2002) Introduction à la Chimie sous rayonnement., INSTN,
(conférence invitée), Colloque sur la gestion à long terme des déchets nucléaires.
CEA - Saclay, mars.
Marignier, J.L. (2002) L'accélérateur d'électrons picoseconde ELYSE à Orsay
(conférence invitée), Sixième Colloque sur les Sources Cohérentes et Incohérentes
UVX 2002. Ile d'Oléron, juin.
Marignier, J.L. (2002) L'accélérateur d'électrons picoseconde ELYSE à Orsay. Picoet femtochimie en phase liquide, GDR 1017. Pont-à-Mousson, décembre.
Mostafavi, M. (2002) Effet de la présence d'un cation métallique sur les propriétés
d'absorption optique de l'électron solvaté, Pico- et femtochimie en phase liquide,
GDR 1017. Pont-à-Mousson, décembre.
Groupe Chimie Théorique (CTh)
Hiberty P.C. Traitement théorique des liaisons à trois électrons "6ème réunion des
chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.
Jean Y. Echange de phosphines dans les dimères métalliques : une alternative au
mécanisme de flip "6ème réunion des chimistes théoriciens français" (Villeneuve
d'Ascq), octobre 1998.
Nauts A. Description quantique de systèmes moléculaires adiabatiquement
contraints "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq),
octobre 1998.
Hiberty P.C. Traitement théorique des liaisons à trois électrons (Institut de
Physicochimie Moléculaire, Bordeaux), juin 1999.
Jean Y. Etude théorique de la structure des complexes quadruplement liés
Mo2Cl4(H2P(CH2)nPH2) "Journées de la SFC (Division Chimie de Coordination)"
(Paris), décembre 1999.
Volatron F. Relation entre géométrie et décompte électronique dans les complexes
organométalliques "CONCOORD-GECOM99" (Landernau), mai 1999.
Jean Y. Structure et réactivité de complexes bimétalliques quadruplement liés
"Institut de Recherches sur la Catalyse de Lyon" (Lyon), mars 2000.
Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. Niveaux vibrationnellement très
excités de molécules "molles". Approximation Adiabatique Harmonique (HADA)
50
"7RCTF (7ème Rencontre des Chimistes Théoriciens Francophones)", du 09/10 au
13/10 2000.
Pernot P. Analyse des matrices spectrocinétiques "7ème Rencontre des Chimistes
Théoriciens Francophones" (Gruissan), 9-13 octobre 2000.
Jean Y. Application de la théorie des orbitales Moléculaires à des problèmes de
structure et de réactivité dans les complexes des métaux de transition "7èmes
Journées X-ESPCI-UPS" (Ecole Polytechnique, Palaiseau), mai 2001.
Desouter-Lecomte, M. (2002) Dynamique quantique en dimension réduite, 8RCTF.
Strasbourg.
Hiberty, P.C. (2002) Première Rencontre Nationale de Chimie Théorique. Fès,
Maroc, 18 -20 mars.
Jean, Y. (2002) Apports de la Chimie Quantique à l'étude des complexes des
métaux de transition, Journée de l'Ecole Doctorale de Chimie de Nancy. Nancy,
mai.
Jean, Y. (2002) Etude DFT de la structure et de la réactivité de complexes
bimétalliques. Université de Nancy, mai.
51
V . COMMUNICATIONS ORALES DIVERSES (POSTERS, etc)
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
Boissel P. Experimental studies on dehydrogenated PAH cations : Ecole des Houches
"Solid Interstellar Matter - The ISO Revolution", 2-6 février 1998.
Delcominette E., Mestdagh H., Rolando C. & Sablier M. Réactions en phase gazeuse
du complexe Fe(CH3OH)+ avec H2O "15èmes Journées Françaises de Spectrométrie de
Masse" (Lyon), 8-10 septembre 1998.
Dutuit O., Alcaraz C., Palm H. & Thissen R., State-selected ion-molecule reactions
studied with synchrotron radiation, in “Symposium on Atomic and Surface Physics and
Related Topics (SASP 98)” (Going, Tirol, Autriche), pp. 3-7 à 3-9, (Progress report) 2530 janvier 1998.
Lilensten J., Toublanc D., L.Blelly P., Galand M., Maurice S., Dutuit O., Alcaraz C. &
Thissen R. Modélisation cinétique et fluide de l'ionosphère de Titan : état de l'art et
perspectives "2ème Colloque National de Planétologie de l'INSU" (Grenoble), 14-17
septembre 1998.
Pech C., Joblin C. & Boissel P. Modélisation du spectre infrarouge des PAHs
interstellaires, Colloque Général du Programme National de Physique et Chimie du
Milieu Interstellaire (Toulouse), septembre 1998.
Thissen R., Alcaraz C., Bushnell J., Nicolas C., Névejans H. & Dutuit O. Rôle de
l'énergie électronique et vibrationnelle des ions dans la photochimie deTitan "2ème
Colloque National de Planétologie de l'INSU" (Grenoble), 14-17 septembre 1998.
Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O. Photoionisation,
Photofragmentation de stéréoisomères "Journées Francaise de Spectrométrie de
masse" (Lyon), 8-10 septembre 1998.
Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O. Photoionisationphotodissociation d'ions stéréoisomères "15èmes Journées Françaises de
Spectrométrie de Masse" (Lyon), 8-10 septembre 1998.
Thissen R., Audier H.E., Mourgues P., Alcaraz C. & Dutuit O. Réexamen de la structure
des ions fragments C3H6O.+ du 1,4dioxane ionisé (poster) "15èmes Journées
Françaises de Spectrométrie de Masse" (Lyon), 8-10 septembre 1998.
Thissen R., Bushnell J., Alcaraz C. & Dutuit O. Role of reactant internal energy in
bimolecular reactions. Applications to the ion-molecule chemistry of Titan's ionosphere
(poster) "The Jovian System after Galileo. The Saturnian System before CassiniHuygens" (Nantes), 11-15 mai 1998.
52
Thissen R. & Nahon L. SU5, une ligne VUV basse énergie, haute résolution, haut flux à
polarisation variable "Journée Rayonnement Synchrotron du DRECAM" (CEA Saclay),
18 mars 1998.
Alcaraz C., Thissen R., Bushnell J. & Dutuit O., Mass Analyzed Threshold Ionization
with synchrotron radiation (poster), in “European Research Conference : Highly excited
electronic states and collisional processes” (San-Feliu de Guixols, Espagne), 23-28
octobre 1999.
Alcaraz C., Thissen R., Bushnell J., Hairabédian C., Dutuit O. & Nahon L.,
Détermination expérimentale de données utiles pour la photochimie des ionosphères
(poster), in “Ecole Thématique du C.N.R.S. : L'environnement de la Terre primitive et
l'origine de la vie” (Propriano), 3-10 octobre 1999.
Boissel P. De la relaxation en matrice aux molécules interstellaires "Journées N. et F.
Legay" (P.P.P., Orsay), 10 décembre 1999.
Heninger M., Pernot P., Mestdagh H., Boissel P., Lemaire J., Marx R. & Mauclaire G.
Influence de la distribution d'énergie interne des ions Fe(CO)n+ sur leur réactivité avec
O2 "ERIG99" (Gif-sur-Yvette), 15-17 novembre 1999.
Lemaire J., Heninger M., Marx R. & Mauclaire G. Excitation of C60+ by electrons in a
Fourier transform ion cyclotron resonance ion trap : an experimental determination of
the radiative cooling rate through its competition with C2 evaporation "Atelier
pluridisciplinaire franco-chinois" (Hefeï, Chine), 1999.
Lemaire J., Heninger M., Marx R., Mauclaire G., Boissel P. & Mestdagh H. Relaxation
radiative de l'énergie interne d'ions C60+ étudiée dans un piège FTICR "ERIG99" (Gifsur-Yvette), 15-17 novembre 1999.
Mauclaire G., Lemaire J., Heninger M. & Marx R. Excitation of C60+ by electrons in a
FTICR ion trap : an experimental determination of the radiative cooling rate through its
competition with C2 evaporation" 5th European Fourier Transform Mass Spectrometry
Workshop" (University of Warwick, Coventry, UK), 16-18 septembre 1999.
Pech C., Joblin C. & Boissel P. Modeling of Interstellar PAHs Infrared Emission :
emitted Intensities and band profiles "IAU Symposium 197 : "Astrochemistry : from
Molecular Clouds to Planetary Systems"" (Korea), août 1999.
Thissen R., The use of few-bunch mode at LURE How, who and outcomes ;
Presentation of the various types of experiments, in “Bessy Users Meeting”, 9-10
décembre 1999.
Thissen R., Alcaraz C., Bushnell J., Nicolas C. & Dutuit O. Effects of vibrational and
electronic excitation of ions on the photochemistry of Titan ionosphere (poster)
"European Geophysical Society, XXIV General Assembly" (The Hague, Pays-Bas), 1923 avril 1999.
53
Thissen R., Alcaraz C., Dutuit O., Mourgues Ph. & Audier H.E., Réaction entre les
cations d'acétylène et l'éthane dans une approche uni- et bi-moléculaire, in “ERIG99
(Energétique et Réactivité des Ions en Phase Gazeuse)” (Gif sur Yvette), 15-17
novembre 1999.
Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O. Photoionization and
photodissociation of stereoisomers (poster) "Gordon Conference : Structure, Energetics
and Reaction Dynamics of Gaseous Ions" (Ventura, USA), 28 février-5 mars 1999.
Alcaraz C., Thissen R. & Dutuit O., MATI and synchrotron radiation : Ion-molecule
reactions as a probe of state-selection (poster), in “IWP (International Workshop on
Photoionisation)” (Carry le Rouet), 8-10 octobre 2000.
Alcaraz C., Thissen R., Nicolas C. & Dutuit O., Study of state-selected N2+ ions :
dissociation and reactivity with methane (poster), in “SASP 2000 (Symposium on Atomic
and Surface Physics and related phenomena)” (Folgaria, Italie), 30 janvier-5 février
2000.
Fleurat-Lessard P., Ohanessian G., Alcaraz C., O. Dutuit & Vervloet M., Statistical
analysis of the photodissociation of tungstene hexacarbonyl W(CO)6 complex (poster),
in “DYNAM 2000” (Arcachon), 31 mai-3 juin 2000.
Pech C., Joblin C. & Boissel P. Etude des profils de bandes infrarouges non-identifiées
à partir de porteurs de type PAHs "Colloque Général du Programme National de
Physique et Chimie du Milieu Interstellaire" (Orsay), juillet 2000.
Pech C., Joblin C. & Boissel P. Photophysics of Interstellar PAHs+ in the PIRENEA
Experiment "15th International Mass Spectrometry Conference" (Barcelone, Espagne),
août 2000.
Simon A. & Maître P. Etude théorique de l'activation du Methane par W + en phase
gazeuse (poster) "GDR Agrégats" (Orsay), mai 2000.
Simon A. & Maître P., Activation of Methane by W + in the Gas Phase : theoretical and
experimental study (poster), in “ESQC 2000” (Riolo Terme, Italie), septembre 2000.
Simon A. & Maître P. A Valence Bond analysis of the 1-2 hydrogen shift in HCN and
Isovalent compounds (poster) "ESQC 2000" (Riolo Terme, Italie), septembre 2000.
Thissen R., Dutuit O., Alcaraz C., Laprévote O. & Sérani L., Differentiation of alcaloid
enantiomers by means of "soft" VUV synchrotron radiation photoionisation (poster), (Les
Houches), 13-18 mai 2000.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
54
Agafonov V., Dzyabchenko A.V., Davydov V., Allouchi H., Céolin R. & Szwarc H. Etude
des empilements des phases polymères de C60 "Colloque de l'Association Française de
Cristallographie (AFC98)" (Orléans), février 1998.
Barrio M., Michaud F., Lopez D.O., Alcobe X., Tamarit J.-L., Szwarc H. & Céolin R.
Études cristallographiques des solvates C60, 2 CCl4 et C60, 2 HCCl3 en fonction de la
température "XXIVèmes Journées d'Étude des Équilibres entre Phases" (Nancy), avril
1998.
Céolin R., Michaud F., Toscani S., Agafonov V., Tamarit J.-L, Dworkin A. & Szwarc H.
Solvation and decagonal twinning of C60 crystals: structural and thermodynamic features
"XXIVèmes Journées d'Étude des Équilibres entre Phases" (Nancy), avril 1998.
Davydov V. A., Agafonov V., Dzyabchenko A.V., Céolin R. & Szwarc H. Particularities
of C60 transformations at 1.5 GPa "93rd Meeting of the American Electrochemical
Society, Symposium of the Fullerene Group" (San Diego, USA), 1998.
Davydov V.A., Agafonov V.N., Allouchi H., Céolin R. & Szwarc H. Tetragonal
polymerized phase of C60 "17th General Conference of the Condensed State Division"
(Montpellier), août 1998.
Gardette M.F., Chilouet A., Toscani S., Rouland J.-C., Allouchi H., Agafonov V., Szwarc
H. & Céolin R. Étude thermodynamique et structurale du système C60-soufre "XXIVèmes
Journées d'Étude des Équilibres entre Phases" (Nancy), avril 1998.
Grell A.-S., Masin F., Messari I., Gusman G., Céolin R. & Szwarc H. NMR studies of
different solvated C60 crystals : C60.4C6H6, C602S8, C60.2CCl4 "Société Belge de Physique"
(Bruxelles), mai 1998.
Masin F., Grell A.-S., Gusman G., Céolin R. & Szwarc H. NMR spin-lattice relaxation of
13C in C .2S "17th General Conference of the Condensed State Division" (Montpellier),
60
8
août 1998.
Morineau D. & Alba-Simionesco C. Network versus clustering phenomena in H-bonded
liquids (poster) "II Workshop on Non Equilibrium Phenomena in Supercooled Fluids,
Glasses and Amorphous Materials" (Pise, Italie), 27 septembre-2 octobre 1998.
Morineau D., Alba-Simionesco C. & Bellisent-Funel M.C. Alternative à une structure
sous forme de réseau de liaisons hydrogène dans des liquides associés "7èmes
Journées de la diffusion neutronique" (Albé), 13-15 mai 1998.
Rousseau B. Prédiction quantitative des coefficients de transport par simulation
numérique de la dynamique moléculaire (CERET), février 1998.
Rousseau B. Thermal diffusion : a comparison between molecular dynamics simulations
using a simple and a realistic model "Third International Meeting on Thermal Diffusion"
(Mons), septembre 1998.
55
Szwarc H. Effet de la pression et d’une force de cisaillement sur le fullerène C 60
"Journée d’Etude, Réseau Haute Pression" (Villetaneuse), janvier 1998.
Boutin A. Simulation de phénomène de marche dans l'isotherme d'adsorption du
méthane dans l'AlPO4-5, et simulation numérique de l'adsorption d'hydrocarbures
chlorés dans les zéolithes, et simulation de l'adsorption et de la co-adsorption des
isomères méta et para du xylène dans les faujasites "Réunion du groupe français des
zéolithes" (Carry-le-Rouet), 22-24 mars 1999.
Brubach J.B., Colavita P., Filabozzi A., Roy P., Mermet A., Gerschel A., Sadtler V. &
Krafft M.P. Water structure in fluorocarbon reverse micelles by synchrotron FIR
spectroscopy "4th Liquid Matter Conference" (University of Granada, Espagne), juillet
1999.
Céolin R., Tamarit J. Ll., López D.O., Barrio M., Allouchi H., Agafonov V., Alcobe X. &
Szwarc H. Phases hexagonales du fullerène C60 "XXVèmes Journées d'Étude des
Équilibres entre Phases" (Annecy), mars 1999.
Davydov V. A., Agafonov V., Allouchi H., Céolin R. & Szwarc H. Synthesis and
individual properties of pressure-polymerized C60 compounds" "94th Meeting of the
American Electrochemical Society, Symposium of the Fullerene Group" (Seattle, USA),
1999.
Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Allouchi H.,
Agafonov V., Céolin R. & Szwarc H. Kinetic study of pressure-induced dimerization of
fullerene C60 "International Workshop on Fullerenes and Atomic Clusters, IWFAC'99"
(Saint-Petersbourg, Russie), 1999.
Grell A.S., Céolin R., Gardette M.-F., Szwarc H. & Masin F. Molecular dynamics study
of C60.2S8 by 13C NMR "International Workshop on Fullerenes and Atomic Clusters,
IWFAC'99" (Saint-Petersbourg, Russie), 4-8 octobre 1999.
Grell A.S., Masin F., Messari I., Gelbcke M., Tekely P., Céolin R. & Szwarc H. NMR
study of C60.4C6H6 and C60.C7H8 by polarization inversion of rare-spin magnetization
(poster) "XIIIth International Winterschool on Electronic Properties of Novel Materials"
(Kirchberg, Autriche), février-mars 1999.
Grell A.S., Messari I., Céolin R., Gardette M.F., Szwarc H. & Masin F. C60.2S8 : 13C spinlattice relaxation time and 13C NMR line shape studies in function of the temperature
"Société Belge de Physique" (Bruxelles, Belgique), mai 1999.
Grell A.S., Messari I., Pirotte P., Tekely P., Céolin R., Szwarc H. & Masin F. NMR study
of C60.C7H8 by cross polarization and polarization inversion of rare-spin magnetization
"XIIIth International Winterschool on Electronic Properties of Novel Materials" (Kirchberg,
Autriche), février-mars 1999.
56
Krakoviack V. & Alba-Simionesco C. Mode-coupling schematic approach to
experimental data "CNRS Summer School "Physic of glasses"" (Cargese), mai 1999.
López D.O., Tamarit J. L., Céolin R., Allouchi H., Agafonov V. & Szwarc H.
Caracterización cristalográfica de las fases hexagonales de C60 "VI Reunion Nacional
de Materiales" (San Sebastian), 22-24 juin 1999.
Morineau D. Thermodynamics of liquids confined in MCM-41 "30èmes journées de
Calorimétrie et d'Analyse Thermique" (Toulouse), mai 1999.
Morineau D. Structural properties of confined glass-forming liquids in mesoporous MCM41 "Journées du GDR : Cristaux liquides en géométrie confinée" (Garchy), 2-5
novembre 1999.
Morineau D. Glass-forming liquids confined in mesoporous MCM-41 "Groupe de
Physique, Prof. Fujara," (Université de Dortmund, Allemagne), 13-15 décembre 1999.
Morineau D., Dosseh G., Alba-Simionesco C., Llewellyn P. & Wu J. Glassforming
liquids in confined geometry (MCM-41) (poster) "7th International Workshop on
Disordered Systems" (Molveno-Andalo, Italie), 1-4 mars 1999.
Morineau D., Dosseh G., Alba-Simionesco C., Tarjus G., Demirjian B. & Kivelson D.
Glacial phase in triphenylphosphite (poster) "7th International Worshop on Disordered
systems" (Molveno-Andalo, Italie), 1-4 mars 1999.
Rousseau B., ‘Algorithmes et simulation numérique de la dynamique moléculaire’,
(Institut Français du Pétrole, Rueil), 1999.
Rousseau B. Coefficients de transport et dynamique moléculaire (Laboratoire de Chimie
Physique, Bordeaux), 11 février 1999.
Rousseau B. Molecular simulation of p-xylene and m-xylene adsorption in Y zeolites.
Single components and binary mixtures study (American Institute of Chemical
Engineers, Dallas, USA), novembre 1999.
Rousseau B. Thermal diffusion in pentane-decane mixtures. A comparison between
experimental and molecular simulation (American Institute of Chemical Engineers,
Dallas, USA), novembre 1999.
Ungerer P., Direct calculation of Bubble points by Monte Carlo Simulation, in
“Thermodynamics 1999” (Imperial College, Londres), 14-16 avril 1999.
Alba-Simionesco C., Morineau D. & Dosseh G., Structure and thermodynamics of
glassforming molecular liquids confined in MCM-41, in “International Discussion Meeting
: Physical Chemistry in Confining Geometries : From Single Molecules to Mesoscopic
Systems” (Berlin, Allemagne), 20-22 septembre 2000.
57
Dosseh G., Morineau D. & Alba-Simionesco C., Dynamics of molecular liquids confined
in mesoporous materials : a NMR study, in “International Workshop on Dynamics in
Confinement” (Grenoble), 26-29 janvier 2000.
Floquet S., Boillot M.-L., Riviere E., Sour A. & Morineau D., Thermal spin crossover in
two thiosemicarbazon ferric complexes : Characterization of a large thermal hysteresis
around room temperature and effect of light irradiation on a photosensitive styril
derivative, in “TOSS 2000” (Leiden, Pays-Bas), 5-7 mai 2000.
Floquet S., M.-L. Boillot, M. Gasnier & Morineau D. Transition de Spin dans des
complexes ferriques de Thiosemicarbazones : Caractérisation d'une large hysteresis
thermique centrée à 310K et de l'effet d'une irradiation lumineuse sur un dérivé photosensible "GECOM CONCOORD 2000" (Beaune), 14-19 mai 2000.
Mermet A. Infrared investigation of water encapsulated in non-ionic reverse micelles
"Workshop on Dynamics in Confinement" (Institut Paul Langevin, Grenoble), janvier
2000.
Morineau D., Casas F., Alba-Simionesco C. & Bellissent-Funel M.-C., Structural
properties of confined glass-forming liquids in mesoporous MCM-41, in “International
Workshop on Dynamics in Confinement” (Grenoble), 26-29 Janvier 2000.
Rousseau B., Perronace A., Leroy F. & Wiegand S. Thermaldiffusion in pentanedecane mixtures. A comparison between MD simulations and TDFRS experiments
"International Meeting on Thermaldiffusion 4" (Bayreuth), 11-15 septembre 2000.
Ungerer P. Unified prediction of the equilibrium properties of normal and branched
alkanes by molecular simulation "14th International congress of chemical and process
engineering" (Prague, République Tchèque), 27-31 août 2000.
Transfert d’Electrons en Milieu Condensé (TEMiC)
Amouyal E., Penaud-Berruyer F., Ait-Haddou H. & Balavoine G. Spectroscopy and
photophysics of two ruthenium(II) heteroleptic complexes of annelated derivatives of
2,2’-bipyridine "Twelfth International Conference on Photochemical Conversion and
Storage of Solar Energy" (Berlin, Allemagne), août 1998.
Belloni J., Rémita H., Tréguer M. & Khatouri J. Reactivity kinetics of carbonyl Platinum
clusters "ISSPIC 9, Int. Symp. Small Part. Inorg. Clusters" (Lausanne, Suisse),
septembre 1998.
Belloni J., Rémita H., Tréguer M. & Mostafavi M. Alloying or segregation in bi- and
multimetallic clusters "ISSPIC 9, Int. Symp. Small Part. Inorg. Clusters" (Lausanne,
Suisse), septembre 1998.
Bergès J., Kassab E. & Houée-Levin C. Influence of the charged end of Arginine on
disulfide radical structure, protonation and decay (POSTER) "Gordon Conference on
Radiation Chemistry", juillet 1998.
58
Burel L., Mostafavi M., Murata S. & Tachiya M. Mechanism of electron transfer
reactions in non-polar and in medium polar solvents "NIMC - International symposium
on photoreaction control and photofunctionnal materials." (Tsukuba, Japon), mars 1998.
Clément R., Coradin T., Amouyal E., Francis A. & Holt J. Intercalate aggregation and
NLO properties of intercalated lamellar chalcogeno-phosphate lattices "MRS 1998 Fall
Meeting" (Boston, USA), novembre 1998.
François L.; Mostafavi, M.; Belloni, J. Suspensions de particules d'or : effet de taille sur
la limitation optique (poster) "Doctoriales Doc'98, organisées par Paris-Sud" (Garchy),
22-27 novembre 1998.
Lainé P. & Amouyal E. Nouveaux composés bis-terpyridiniques de l’osmium: vers des
états de charges séparées de longues durées de vie "Journées annuelles de chimie de
coordination" (Rennes), décembre 1998.
Marignier J.-L. Photopolymérisation de l'asphalte. Aplications aux procédés
photomécaniques après 1850. "Nicéphore Niepce, une nouvelle image" (Chalon/Saône),
janvier 1998.
Marignier J.-L. L'invention de la photographie par Nicéphore Niepce : apport de la voie
expérimentale "Nicéphore Niepce, une nouvelle image." (Chalon/Saône), janvier 1998.
Mostafavi M., Burel L. & Murata S. Mechanism of electron transfer fluorescence
quenching in non-polar solvents "Annual Meeting of the Chemical Society of Japan."
(Tokyo, Japon), mars 1998.
Mostafavi M., Burel L., Murata S. & Tachiya M. Electron transfer in non-polar solvents
"GDR Acte Chimique Elémentaire" (Ury), mars 1998.
Mostafavi M., Burel L., Murata S. & Tachiya M. Mechanism of electron transfer
fluorescence quenching in non-polar solvents "XVII IUPAC Symposium on
photochemistry" (Barcelone, Espagne), juillet 1998.
Ruhlmann L. Direct anodic coupling of porphyrins : an original route to selective
preparation of bis- and multiporphyrins "Seminar Struktur/Funktion beziehungen in
Redoxproteinen" (Technische Universität Berlin, Berlin, Allemagne), 20 janvier 1998.
Ruhlmann L. Spectroelectrochemistry of heterodimers and -trimers of manganese
porphyrinates in aqueous solution, at pH 12, and electrocatalytic oxygen evolution "RuMn Artificial Photosynthesis Workshop" (Sjudarhöjden Conference Center, Stockholm
(Suède)), 14-16 mai 1998.
Ruhlmann L. Manganese and ruthenium porphyrins as compared to other manganese
and ruthenium complexes "Seminar Bioorganische Chemie, Freie Universität Berlin"
(Berlin, Allemagne), 8 janvier 1998.
59
Tréguer M., Belloni J., Rémita H. & Khatouri J. Reactivity kinetics of carbonyl Platinum
clusters "JECR 1998" (Bonascre), mai 1998.
Abdeljalil E., Keita B., Nadjo L., Girard F., Gerschwiler S., Contant R. & Haut C. Dépôts
de nouveaux oxydes métalliques électroactifs par electroréduction d'hétéropolyanions
"Journées d'Electrochimie" (Toulouse), 1-4 juin 1999.
Amouyal E. Photochimie de coordination : de la conversion de l’énergie solaire à
l’électronique moléculaire (Versailles), (Institut Lavoisier, Institut de Réactivité,
Electrochimie et Microporosités), juin 1999.
Amouyal E. Intramolecular electron transfer in polypyridyl complex-based molecular
systems "Elementary Chemical Processes in Liquids" (Bad Herrenalb, Allemagne),
octobre 1999.
Amouyal E. Photonique moléculaire : systèmes supramoléculaires à base de complexes
polypyridiniques de métaux de transition (Laboratoire d’Electrochimie Organique et de
Photochimie Rédox, Grenoble), 27 octobre 1999.
Audette M., Blouquit Y. & Houée-Levin C. Dimérisations radioinduites de protéines "4ème
Congrès de Radiobiologie Fondamentale et Appliquée" (St François, Guadeloupe),
décembre 1999.
Belloni J., Recent developments in the quantum yield of the photographic latent image
formation, in (Ecole Polytechnique ETH Zürich et Université de Bâle), janvier 1999.
Chapelier A., Desmadril M. & Houée-Levin C. Effet des rayonnements gamma sur la
structure de la thioredoxine et de l'-lactalbumine. "4ème Congrès de Radiobiologie
Fondamentale et Appliquée" (St François, Guadeloupe), décembre 1999.
François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P. Effet de la taille des
particules d'or sur la limitation optique "Réunion thématique du groupement de
recherche : "Matériaux et fonctions de l'optique non linéaire"" (Grenoble), 15-16 Juin
1999.
François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Effect of
gold particle size on the optical limiting response and dynamics (poster) "4th
mediterranean workshop and topical meeting : " Novel Optical Materials and
applications ", NOMA' 99" (Cetraro, Italy), 4-10 juillet 1999.
Keita B., Nadjo L., Belhouari A. & Contant R. Efficient conversion of NO into N2O by
selected electroreduced Keggin and Dawson-type heteropolyanions. "50th ISE
International Meeting" (Pavia), 5-10 septembre 1999.
Keita B., Nadjo L., Belhouari A., Contant R., Abbessi M. & Canny J. Electrochemistry
and spectroelectrochemistry of iron-substituted Dawson-type tungstodiphosphates :
single or multiple elrctronation due to substituent nature or position. "50th ISE
International Meeting" (Pavia), 5-10 septembre 1999.
60
Lainé P. & Amouyal E. Synthesis and properties of Ru(II) and Os(II) complexes with
novel triarylpyridinio-modified polypyridyl ligands "5th FGIPS Meeting in Inorganic
Chemistry" (Toulouse), octobre 1999.
Lainé P. & Amouyal E. Synthèse et propriétés de complexes du ruthénium (II) et de
l’osmium (II) avec de nouveaux ligands accepteurs triarylpyridinio-polypyridiniques
"Journées Annuelles de Chimie de Coordination" (Paris), décembre 1999.
Lampre I., Markovitsi D., A. Sharonov & Veber M. Triarylpyrylium salts : dynamics of the
monomer-dimer equilibrium via a triplet absorption study "Photoprocesses in Molecular
Assemblies" (Dourdan), 27-30 juin 1999.
Lu Y.W. Electrodétosylation totale du N', N'-bis(o-tosylaminophényl) malonamide
"Journées d'Electrochimie" (Toulouse), 1-4 juin 1999.
Nadjo L., Keita B., Abdeljalil E., Girard F., Gerschwiler S., Contant R. & Haut C.
Electrochemically-induced transformations of heteropolyanions : new electroactive metal
oxide films studied by EQCM "50th ISE International Meeting" (Pavia), 5-10 septembre
1999.
Nadjo L., Keita B., Mahmoud A., Oung O., Contant R., Brown S. & Kouchkovsky Y. De.
Coupled electron and proton transfers: compared behaviours of oxometalates in
aqueous solution or after entrapment in polymer matrices. "50th ISE International
Meeting" (Pavia), 5-10 septembre 1999.
Sicard-Roselli C., Lemaire S., Jacquot J-P. & Houée-Levin C. Oxydation à un électron
de la thioredoxine : rôle des résidus tryptophane "4ème Congrès de Radiobiologie
Fondamentale et Appliquée" (St François, Guadeloupe), décembre 1999.
Sicard-Roselli C., Lemaire S., Jacquot J-P. & Houée-Levin C. Sensitivity of thioredoxin
tryptophan residues toward one-electron oxidation (POSTER) "11th ICRR" (Dublin,
Irlande), juillet 1999.
Amouyal E. Conversion et stockage de l’énergie solaire: la filière photochimique (Ecole
Doctorale Sciences de la Matière et du Rayonnement, Lille), janvier 2000.
Amouyal E., Lainé P. & Gelly G. Photophysical study of new polyad systems based on
Ru(II) and Os(II) polypyridine complexes "Real Time Probing of Elementary Chemical
Processes in Liquids" (Paris), 15-17 octobre 2000.
Amouyal E. Energie solaire : production photochimique d'hydrogène (DRECAM/SCM,
CEA, Saclay), 15 décembre 2000.
Belloni J. Récents développements sur la sensibilité des films photographiques "Les
Mercredis de la Boule" (Université de Toulouse), avril 2000.
61
Belloni J. Récents développements sur la sensibilité des films photographiques
(Université de Sétif, Algérie), mai 2000.
Belloni J. Récents développements sur la sensibilité des films photographiques
(Université de Constantine, Algérie), mai 2000.
Belloni J. Récents développements sur la sensibilité des films photographiques
"Commission de l'Image et du Son" (Paris), mai 2000.
Belloni J., Gaillard M , Monard H., Lampre I., Mostafavi M., Marignier J.L., Gravey T. &
Bourdon J.C. ELYSE : a new picosecond pulse radiolysis facility for physical chemistry
at Orsay "Int. Conf. Ultra Programme, ESF" (Coïmbra, Portugal), octobre 2000.
Belloni J., Gaillard M. , Monard H., Lampre I., Mostafavi M., Marignier J.L., Gravey T. &
J.C. Bourdon. ELYSE : a new picosecond pulse radiolysis facility for physical chemistry
at Orsay, "Int Conf. Real Time Probing of Elementary Chemical Processes in Liquids"
(GDR, Paris), octobre 2000.
Bergès J. & Houée-Levin C. One-electron reduction of disulfide bonds in proteins and
model compounds (Leba, Pologne), septembre 2000.
François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P. Size dependent
efficiency of optical limiting induced by gold clusters "Second international symposium
on optical power limiting, ISOPL 2000" (Venise, Italie), July 2-5 2000.
François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Effect of
gold cluster size on the effiency and dynamics of optical limiting (poster) "3rd NIMC
International Symposium on Photoreaction Control and Photofunctional Materials
(PCPM 2000)" (Tsukuba, Ibaraki, Japan), March 15-17 2000.
François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Effect of
gold cluster size on the effiency and dynamics of optical limiting (poster) "Réunion
thématique "nanoparticules"" (Ecole Polytechnique, Palaiseau), March 15-17 2000.
Lainé P., Amouyal E. Synthèses et propriétés de nouveaux complexes du ruthénium(II)
et de l'osmium(II) avec des ligands substitués par des accepteurs d'électrons du type
triarylpyridinio "7ème rencontre Lumière sur les Systèmes Moléculaires Organisés"
(Marly-le Roi), 20-22 juin 2000.
Mostafavi M., François L., Belloni J., Delaire J. & Feneyrou P. Limitation induite par les
clusters d'or stabilisés en solution. Mécanismes et effets de taille, "Journée "Particules"
GDR Matériaux et fonctions de l'optique non linéaire" (Palaiseau), octobre 2000.
Pommeret S., Gobert F., Haïdar R., Bugnet S., Vigneron G., Mialocq J.C., Mostafavi M.,
Lampre I. & Pernot P. Interaction of terawatt laser pulses with neat water "12th Int.
Conf. on Ultrafast Phenomena" (Charleston, USA), 9-13 juillet 2000.
62
Rémita H. & Belloni J. Radiation-induced mono- and bimetallic clusters "Gordon
Conference on Radiation Chemistry" (Plymouth, USA), 25-30 juin 2000.
Belloni J. La Photographie dopée (Ecole Nationale Supérieure de Cachan), janvier
2001.
Groupe Chimie Théorique (CTh)
Demachy I. & Jean Y. Changement de l'état électronique fondamental entre le pphénylène bis (méthylène) et son dérivé fluoré (poster) "6ème réunion des chimistes
théoriciens français" (Villeneuve d'Ascq), octobre 1998.
Fleurat-Lessard P. & Volatron F. Etude theorique des distorsions structurales du
tetrakis(dimethyle amino) ethylene (poster) "Journées Francophones des Jeunes
Physico-chimistes" (Montpellier), juillet 1998.
Fleurat-Lessard P. & Volatron F. Analyse théorique de la structure des derives triamino
de l'aluminium Al(NR2)3 (poster) "Journées Francophones des Jeunes Physicochimistes" (Montpellier), juillet 1998.
Lledos A. & Jean Y. Etude DFT de la rotation interne dans le dimère quadruplement lié
Mo2Cl4(PH3)4 (poster) "6ème réunion des chimistes théoriciens français" (Villeneuve
d'Ascq), octobre 1998.
Simon A., Chapuisat X., Lauvergnat D. & Maître P. Analyse Valence-Bond du transfert
d’hydrogène 1-2 dans HXY (Communication orale nationale) "3ème Colloque Journées de
Spectroscopie Moléculaire" (Reims), juillet 1998.
Simon A., Chapuisat X., Lauvergnat D. & Maître P. Analyse Valence-Bond du transfert
d’hydrogène dans HCN et les molécules isoélectroniques (Communication orale
nationale) "Réunion des chimistes théoriciens français" (Lille), septembre 1998.
Simon A., Chapuisat X. & Maître P. A Valence-Bond analysis of the 1-2 hydrogen shift
in HXY, where XY = CN, CP, SiN, SiP (Communication orale internationale) "Third
European Workshop on Quantum Systems in Chemistry and Physics" (Grenade,
Espagne), mars 1998.
Soep B., Hanine M. El & Maître P. Solvatation du Magnésium neutre et cationique dans
des agrégats de NH3 : expérience et théorie (Communication orale nationale)
"Réunion du GDR agrégat" (Carry le Rouet), novembre 1998.
Tomas J., Lledos A. & Jean Y. Le complexe de Kubas revisité : étude théorique de
l'addition de H2 et structure de la forme dihydrure (poster) "6ème réunion des chimistes
théoriciens français" (Villeneuve d'Ascq), octobre 1998.
63
Tomas J., Lledos A. & Jean Y. Capacité d'un fragment métallique ML5 à casser une
liaison H-H (poster) "6ème réunion des chimistes théoriciens français" (Villeneuve
d'Ascq), octobre 1998.
Demachy I., Jean Y. & Lledos A. Singlet-triplet separation along internal rotation in
quadruply bonded dimolybdenum complexes (poster) "Fourth European Workshop
"Quantum systems in Chemistry and Physics"" (Marly le Roi), avril 1999.
Fleurat-Lessard P. & Volatron F. Analyse théorique de la structure des dérivés triamino
de l'aluminium Al(NR2)3 (poster) "Cinquième école d'été de physicochimie théorique"
(Marly-le-Roi), septembre 1999.
Simon A., Ohanessian G. & Maître P. Sequential activation of methane by W+ in the
gas phase : a theoretical study (poster) "Congrès ERIG" (Gif-sur-Yvette), novembre
1999.
Ungerer P., Derivation of force fields for the molecular simulation of liquid-vapor
equilibria of alkanes and multipolar fluids, in “AICHE Meeting” (Dallas, USA), 31 octobre
- 5 novembre 1999.
Ungerer P., Prédiction des propriétés d'équilibre et de transport des fluides par
simulation moléculaire, in “6èmes journées européennes de thermodynamique
contemporaine (JETC6)” (Carry le Rouet), 13-15 septembre 1999.
Bacchus-Montabonel M.-C., Baloïtcha E., Desouter-Lecomte M. & Vaeck N. Calcul abinitio des constantes de vitesse pour la collision Si 4+ + He} (poster) "Colloque de la
division de Physique Atomique, Moléculaire et Optique de la Société Française de
Physique (PAMO2000)" (Lyon), 10-13 juillet 2000.
Bacchus-Montabonel M.-C., Vaeck N. & Desouter-Lecomte M. Ab-initio molecular
treatment of electron capture in ion-atom collisions (poster) "Topics on Atomic and
Molecular Physics in Fusion Plasmas" (Madrid, Espagne), 13-15 septembre 2000.
Baloïtcha E., Desouter-Lecomte M., Vaeck N. & Bacchus-Montabonel M.-C. Timedependent and time-independent wave packet methods for charge-exchange processes
in ion-atom collisions. Application to Si4++ He' (poster) "Dynamical Aspects of Atomic
and Molecular Systems (DYNAM)" (Arcachon), 31 mai - 3 juin 2000.
Blasco S., Demachy I., Jean Y. & A. Lledos. Etude du mode de coordination des
ligands S2 dans les complexes bimétalliques du type Fe2Cp2(S2)2 (poster) "7ème
Réunion des Chimistes Théoriciens Français" (Gruissan), octobre 2000.
Braïda B. & Hiberty P. Liaisons à trois électrons dans les ions radicaux (poster)
"Journées francophones des jeunes physico-chimistes" (Ecole Polytechnique), 10-12
mai 2000.
64
Braïda B. & Hiberty P. Ruptures de symétrie dans les liaisons à trois électrons (poster)
"7ème Réunion des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre
2000.
Desouter-Lecomte M., Justum Y., Lauvergnat D. & Dive G., H transfer dynamics in
rigidly or adiabatically constrained systems. Isomerization of HCN, H2CO and H3CO
(poster), in “DYNAM 2000 (Satellite meeting of the Xth ICQC)” (Arcachon), du 31/05 au
03/06 2000.
Dubois V., Archirel P. & Boutin A. Simulation Monte-Carlo de la solvatation de l'ion Ag+
"7ème Rencontre des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre
2000.
Fleurat-Lessard P. & Volatron F., Tetracoordinated transition metal complexes :
geometrical dependance upon electron counting, in “Xth International Congress of
Quantum Chemistry” (Menton), juin 2000.
Fleurat-Lessard P. & Volatron F. Complexe tétracoordines des métaux de transition :
préférence géometrique en fonction du décompte électronique "Journées Francophones
des Jeunes Physico-chimistes" (Paris), mai 2000.
Fleurat-Lessard P. & Volatron F. Complexe tétracoordines des métaux de transition :
préférence géométrique en fonction du décompte électronique "7ème Réunion des
Chimistes Théoriciens Français" (Gruissan), octobre 2000.
Fleurat-Lessard P., Volatron F. & Durupthy O. Structure électronique du pentafluorure
du Xénon. Pseudorotation de l'atome central dans les composés AX5E2 (poster)
"Journées Francophones des Jeunes Physico-chimistes" (Paris), mai 2000.
Fleurat-Lessard P., Volatron F. & Durupthy O., Xenon pentafluoride anion XeF5electronic structure and pseudorotation mechanism in AX5E2 species, in “Xth
International Congress of Quantum Chemistry” (Menton), juin 2000.
Lauvergnat D. & Nauts A. Calcul numérique exact d'un opérateur énergie cinétique en
cordonnées curvilignes (poster) "7RCTF (7ème Rencontre des Chimistes Théoriciens
Francophones)" (Gruissan), du 09/10 au 13/10 2000.
Lauvergnat D., Nauts A., Justum Y. & Chapuisat X., A harmonic Adiabatic
Approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules"
(poster), in “DYNAM 2000 (Satellite meeting of the Xth ICQC)” (Arcachon), du 31/05 au
03/06/ 2000.
Lauvergnat D., Nauts A., Justum Y. & Chapuisat X., A harmonic Adiabatic
Approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules"
(poster), in “PRAHA2000 (The 16th International Conference on High Resolution
Molecular Spectroscopy)” (Prague, République Tchèque), du 03/09 au 07/09 2000.
65
Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. A harmonic adiabatic approximation
(HADA) to calculate highly excited vibrational levels of "floppy molecules" (poster)
"General Scientific Meeting of the Belgian Physical Society" (Louvain-la-Neuve,
Belgique), 25-26 mai 2000.
Lauvergnat D., Nauts A., Justum Y. & X. Chapuisat. Niveaux vibrationnellement très
excités de molécules "molles". Approximation Adiabatique Harmonique (HADA) (poster)
"PAMO 2000 ( Colloque de la division de physique atomique, moléculaire et optique de
la société française de physique)" (Lyon), 10-13 juillet 2000.
Penaud-Berruyer F. Protonation of ,-alkylamines in the gas phase : thermochemistry
and reactivity of the protonated forms (poster) "15th International Mass Spectrometry
Conference" (Barcelone, Espagne), 2000.
Ungerer P., Bubble point calculation of alkane mixtures by Monte Carlo simulation, in
“14th International congress of chemical and process engineering” (Prague), 27-31 août
2000.
Vaeck N., Bacchus-Montabonel M.-C., Baloitcha E. & Desouter-Lecomte M. Traitement
ab-initio pour le calcul des constantes de vitesse à basse température dans les
collisions ion-atome (poster) "7ème Rencontre des Chimistes Théoriciens
Francophones (7ème RCTF)" (Gruissan), 9-13 octobre 2000.
Vaeck N., Baloïtcha E., Bacchus-Montabonel M.-C. & Desouter-Lecomte M. Wave
packet dynamics for electron capture in ion-atom collisions (poster) "2th EGAS,
European Group of Atomic Spectroscopy" (Vilnius, Lithuanie), 4-7 juillet 2000.
VI. LIVRES OU CHAPITRES DE LIVRES
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
Botter R., Lavery R., Leach S. & Marx R. Eds Un siècle de chimie physique 1903-1999
(EDP Sciences) Journal de Chimie Physique, N° hors série, 2000.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Roy P., Mathis Y.-L., Paolone A., Giura P., Tremblay B., Nucara A., Lupi S., Calvani P.
& Gerschel A. New higher brilliance sources of infrared synchrotron radiation in Infrared
Synchrotron Radiation, (P. Calvani and P. Roy, Nuovo Cimento Press), 1998.
Fuchs A. L'irréversibilité des phénomènes naturels à l'échelle macroscopique. Le point
de vue d'un chimiste dans Le temps et ses représentations, sous la direction de B.
Piettre, L'Harmattan:, pp. 109, 2001.
Transfert d’Electrons en Milieu Condensé (TEMiC)
66
Belloni J. Contribution of radiation chemistry to metal cluster studies in “Centennial of
radioactivity discovery”, Special issue of Rad. Research; Travis E.L. and Masson K.A.
Eds., Vol. 150, pp. S9-S20, 1998.
Grand D. Encyclopaedia Universalis, Rubrique “Spectrophotométrie”, Edition 2000.
Keita B., Belhouari A., Nadjo L. & Contant R. New aspects of isopoly and
heteropolyanions in electrochemistry/chemically modified electrodes, catalysis in n°
spécial “polyoxométallates”, (C.R.Acad.Sci.Paris, Série IIC), pp. 333, 1998.
Keita B., Essaadi K., Belhouari A., Nadjo L., Contant R. & Justum Y. Catalysis of the
oxidation of NADH by heteropolyanions : a kinetic study in n° spécial
“polyoxométallates”, (C. R. Acad. Sci. Paris, Série IIC), Vol. t.1, pp. 343, 1998.
Khatouri J., Mostafavi M. & Belloni J., Kinetics of electron transfer in solution catalyzed
by metal clusters, in “Photochemistry and Radiation Chemistry : Complementary
methods for the study of electron transfer”, pp. 293-314, Wishart J., Nocera D. Eds,
(ACS)1998.
Belloni J. & Mostafavi M. Radiation-induced metal clusters. Nucleation mechanisms and
physical chemistry in “Metal clusters in chemistry”; Braunstein P., Oro R., and
Raithby P., Eds., (J. Wiley, VCH), pp. 1213-1247, 1999.
Marignier J.-L. Nicéphore Niépce. L'invention de la photographie - Collection “Un savant,
une époque”, (Belin), pp. 608, 1999.
Marx R. & Rosmus P. Vibrational relaxation of small molecular ions; Ng Y Chenk Yiu
Ed., (J. Wiley), 1999.
Belloni J. & Delcourt M.O. Interaction rayonnement-matière dans Rayonnements
ionisants; B. Tilquin Ed.,: Université Louvain-la-Neuve, pp. 7-37, 2001.
Belloni J. & Mostafavi M. Radiation Chemistry of nanocolloids and clusters in Studies in
physical and theoretical Chemistry 87. Radiation Chemistry : Present status and future
trends; C.D. Jonah and M. Rao Eds, Elsevier:, pp. 411-452, 2001.
Belloni J. & Mostafavi M. Synthèse induite par irradiation de nanoagrégats métalliques
ou semiconducteurs in Rayonnements ionisants B. Tilquin Ed. Eds.: Université Louvainla-Neuve, pp. 107-115, 2001.
Keita B. & Nadjo L. Electrocatalysis by Chemically Modified Electrodes of the main
inorganic chemicals, Encyclopedia of Electrochemistry (accepté) A.J. Bard and M.
Stratmann, Eds., Wiley-VCH, 2001.
Groupe Chimie Théorique (CTh)
67
Hiberty P., Chapuisat X., Volatron F. & Jean Y. N° spécial en l'honneur du 60ème
anniversaire de L. Salem in n° spécial Theochem.; Chapuisat X., Hiberty P., Volatron F.,
Rivail J.-L. and Jean Y. Eds., Vol. 424, 1998.
Hiberty P. C. & Shaik S. BOVB - A valence bond method incorporating static and
dynamic electron correlation effect dans Valence Bond Theory, Theoretical and
Computational Chemistry Book Series; D.L. Cooper and D.J. Klein eds., Elsevier:
Amsterdam, Vol. (sous presse), 2001.
VII. VULGARISATION SCIENTIFIQUE
Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)
Boissel P. , de Parseval P. , Joblin C. & Marty P. La matière interstellaire en
laboratoire, Images de la Physique « Revue du CNRS », 1998.
Dutuit O. Interaction entre les atomes ou les molécules en phase gazeuse et le
rayonnement synchrotron dans l’ultraviolet lointain « Exposé et intervention dans le
cadre d’un stage MAFPEN de formation permanente des enseignants du secondaire »
(Orsay), 10 mars 1998.
Boissel P., de Parseval P., Joblin C. & Marty P. Le milieu interstellaire en laboratoire,
Revue du CNRS, 1999.
Boissel P., Gée C., Heninger M., Lemaire J., Marx R. & Mauclaire G. Les ions mis en
boîte : la cellule à résonance cyclotronique ionique et la spectrométrie de masse par
transformée de Fourier « Plein Sud Spécial recherche, Revue de l’Université ParisSud », pp 94-100, 1999.
Dutuit O. Interaction entre les atomes ou les molécules en phase gazeuse et le
rayonnement synchrotron dans l’ultraviolet lointain « Exposé et intervention dans le
cadre d’un stage MAFPEN de formation permanente des enseignants du secondaire »
(Orsay), 14 janvier 1999.
Dutuit O. La chimie atmosphérique de Titan, satellite de Saturne, étudiée avec le
rayonnement synchrotron « Intervention auprès de lycéens du Lycée Franco-allemand »
(Buc), 1999.
Marx R. Twenty years have already passed, J. Chimie Phys. Et Physico- Chimie
Biologique, 1-11, 1999.
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Bataille X., Bram G. & Fuchs A.H. Le retour de l’hypothèse radiative de Jean Perrin,
L’Actualité Chimique (11-12), 47, 1998.
68
Moussa F. & Szwarc H. Le carbone au corps : Comment l’organisme assimile les
fullerènes, Pour la Science, 248, 1998.
Szwarc H. Participation à “La poudre et l’enclume”, film CNRS-Cité des Sciences et de
l’Industrie sur la mécanosynthèse ; a été présenté sur TV5 dans le cadre de l’émission
Côté Science le 22 février, 1998.
Transfert d’Electrons en Milieu Condensé (TEMiC)
Belloni J. La personnalité scientifique de Marie Curie (en Polonais), Orbital (Polskie
Towarz. Chem.), 9-22, 1998.
Belloni J. The scientific personnality of Marie Skodowska-Curie “100 years after the
discovery of Po and Ra” (Varsovie, Pologne), février 1998.
Marignier J.-L., La photographie : de la naissance à nos jours, Société Française de
Chimie, Université Pierre et Marie Curie, février (Paris) 1998.
Marignier J.-L., La première photographie, Conférence-animation pour élèves de CM2
des écoles de Granville (100 élèves), Semaine de la Science, organisée par la Région
de Basse Normandie, 9 octobre (Granville) 1998.
Marignier J.-L., Les premiers procédés photographiques au monde, Semaine de la
Science, organisée par la Région de Basse Normandie, Octobre (Granville) 1998.
Marignier J.-L., L’invention de la photographie, Exposition sur les travaux redécouverte
des premiers procédés photographiques, Musée Nièpce, 15 et 16 Janvier 1998.
Marignier J.-L., Techniques des premiers procédés photographiques au monde.,
Association pour la photo ancienne. Fédération Française des Industries
Photographique et Cinématographique, octobre (Paris) 1998.
Marignier J.-L. Le guide du Paris savant. (Rédaction des articles relatifs à l’histoire de la
photographie), (Belin), 1998.
Belloni J., La photographie : récents développements, FIUPSO, Science et Génie des
Matériaux, Université Paris-Sud, février 1999.
Belloni J. & Rémita, H. La Photographie, Conférence et exposition, Science en Fête,
CNRS Michel-Ange, octobre 1999.
Marignier J.-L., Initiation aux techniques des premiers procédés photographiques,
Animation de stage, Ecoles des Beaux-Arts, Département des Etudes Supérieures
d’Arts Visuels, 8 au 12 Février 1999.
Belloni J., Un laboratoire CNRS-Université Paris-Sud en collaboration avec la Société
Agfa-Gevaert N.G. réussit à décupler la sensibilité des émulsions photographiques, La
Lettre des Sciences Chimiques, CNRS, 73, 6-7, juillet 2000.
69
Belloni J., La photographie dopée, Orsay-Info, 60, 9-11, 2000.
Belloni J., Journées Portes Ouvertes de Science en Fête, Laboratoire de Chimie
Physique, Université Paris-Sud, octobre 2000.
Marignier J.-L. La Photogravure, L’Héliographie, le Gillotage, La Photogalvanographie,
L’Offset in Vocabulaire Technique de la photographie (sous la direction d’ A. CartierBresson), (Maison Européenne de la Photographie Editeur, Paris), Vol. en préparation,
2000.
Marignier J.-L. La photographie à l’encre. De la photo collée à la photo imprimée in La
Photographie et le Livre – Essai collectif sur la nature de la photographie et le statut du
livre de photographie(s) à partir de l’analyse des rapports multiformes du livre et de la
photographie, (J.M. Place, Paris), Vol. en préparation, 2000.
Belloni J., Des films photographiques ultrasensibles, Universalia, Encyclopaedia
Universalis, 2001.
VIII . COURS
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Boutin A. Modélisation sur la physico-chimie des matériaux « 5 heures de cours sur la
modélisation des zéolithes » (Dijon, Université de Bourgogne), 21-25 juin 1999.
Transfert d’Electrons en Milieu Condensé (TEMiC)
Mostafavi M. Cinétique et Dynamique des Réactions Chimiques « Maîtrise et Magistère
de Physico-Chimie Moléculaire » (Université Paris-Sud), 2000.
Groupe Chimie Théorique (CTh)
Archirel P. Orbitals and configurations : the ingredients of quantum chemistry « Ecole
d’Hiver du réseau européen SRMI » (Candriai, Italie), 2-3 Février 1998.
Hiberty P.C. Analyse qualitative de la corrélation électronique « 6ème Ecole d’Eté de
Physicochimie Théorique » (Marly-le-Roi), septembre 1999.
Jean Y. Règles de Woodward et Hoffmann – Structure et réactivité de complexes de
métaux de transition « 3ème cycle interuniversitaire en Chimie Physique Moléculaire à
l’invitation du Fonds National de la Recherche Scientifique Belge » (Louvain-la-Neuve,
Belgique), juin 1999.
Volatron F. Analyse théorique de la réactivité chimique « 5ème école d’été de
physicochimie théorique » (Marly-le-Roi), septembre 1999.
70
Justum Y. & Nauts A. Questions spéciales de physique et de dynamique moléculaires
(Faculté des Sciences de l’Université d’El-Jadida, Maroc), mai 2000.
71
IX. THESES (Liste générale)
Berthe-Gaujac N., Etude théorique de dimères présentant des liaisons à un, deux ou
trois électrons, Université Paris-Sud, Orsay, 1998, co-direction : P. Hiberty, F. Volatron,
Y. Jean, Jury : R. Abouaf, J. Fossey, P.C. Hiberty, Y. Jean, R. Lissilour, A. Lledos.
Gerschwiler S., Etude des interactions entre polyoxométallates et divers matériaux
d’électrode, Université Paris-Sud, Orsay, 1998, Jury : M. Chemla, B. Keita, L. Nadjo,
J.M. Nigretto, A. Teze.
Lachet V., Simulation moléculaire de l'adsorption sélective des isomères du xylene dans
les faujasites, Université Paris-Sud, Orsay, 1998, Jury : J.-P. Bellat, A. Boutin, A.
Cheetham, A. Fuchs, D. Nicholson, J.-L. Rivail et B. Tavitian.
Mahmoud A., Nanobalance à cristal de quartz et électrochimie : étude de composites
polymères/polyoxométallates, Université Paris-Sud, Orsay, 1998, Jury : J. Bessière, S.
Brown, B. Keita, Y. de Kouchkovsky, G. Lecayon, L. Nadjo.
Audette M., Modification radio-induite dans les protéines, Université Paris-Sud, Orsay,
1999, Jury : G. Le Maire, M. Charlier, C. Pasquier, Y. Blanquit, C. Houée-Levin, M. Le
Maire.
Tréguer M., Nouvelles approches pour accroître le rendement effectif de formation de
l’image latente dans AgX par inhibition de la recombinaison e-/h+, Université Paris-Sud,
Orsay, 1999, Jury : J. Delaire, M. Herlem, B. Hickel, J. Belloni, R. de Keyzer, M.
Mostafavi.
Ungerer P., Calcul des propriétés d'équilibre et de transport de mélanges
d'hydrocarbures par simulation moléculaire, Université Paris-Sud, Orsay, 1999, Jury : M.
Condat, A. Fuchs, J.P. Grolier, B. Smit, H. Toulhoat.
Delhommelle J., Etablissement de potentiels d'interactions pour la simulation
moléculaire. Application à la prédiction des équilibres liquide-vapeur de mélanges
binaires alcane-molécule multipolaire, Université Paris-Sud, Orsay, 2000, Jury : Ph.
Boop, A. Fuchs, Ph. Millié, C. Millot, N. Quirke, B. Tavitian.
Fleurat-Lessard P., Etude théorique du rôle des ligands donneurs Pi dans les composés
des métaux de transition et du groupe principal, Université Paris-Sud, 2000, Jury : H.
Bolvin, B. Lévy, T. Mallah, F. Maseras, J.-Y. Saillard, F. Volatron.
François L., Mécanismes de la limitation optique des agrégats métalliques synthétisés
par voie radiolytique, Université Paris-Sud, Orsay, 2000, Jury : F. Hache, F. Kajzar, J.
Belloni, J. Delaire, M. Mostafavi, O. Vasseur, P. Feneyrou (invité).
Krakoviack V., Approches de couplage de modes et de champ moyen de la transition
vitreuse : utilisation de modèles schématiques pour l'analyse quantitative de la
dynamique des liquides surfondus, Université Paris-Sud, Orsay, 2000, Jury : J.-L.
72
Barrat, H. Cummins, O. Martin, M. Mézard, G. Tarjus, C. Alba-Simionesco.
Abdeljalil E., Caractérisation de nouveaux catalyseurs à base d'oxométallates par des
nanotechnologies : Microscopies à champ proche et nanobalance, Université Paris-Sud,
Orsay, 2001, Jury : Claude Lamy, rapporteur et président, Jacques Cousty rapporteur,
Dolores Gauyacq, Bineta Keita, Louis Nadjo.
Perronace A., De la thermodynamique irréversible à la mécanique statistique des
processus de transport : le calcul des coefficients de thermodiffusion dans des
mélanges binaires liquides par dynamique moléculaire, Université Paris-Sud, Orsay,
2001, Jury : A. Fuchs, G. Zerah, P. Bopp, G.Ciccotti, F. Montel, B. Rousseau.
Porcheron F., Forces de solvatation de fluides d'alcanes nanoconfinés, Université ParisSud, Orsay, 2001, Jury : A. Fuchs, K. Gubbins, R. Pellenq, E. Perez, P. Turq, B.
Rousseau.
X. BREVETS
Equipe Thermodynamique Expérimentale et Statistique de la Matière
Condensée (TESMaC)
Krafft M.P. & Gerschel A., Nouveau procédé permettant le confinement de
macromolécules, Enveloppe Soleau, 10 janvier 1999.
Transfert d’Electrons en Milieu Condensé (TEMiC)
Belloni J., Rémita H., Tréguer M. & Keyzer R. De, Organic hole trapping center and
spectral sensitizer, Patent AGFA GV, Novembre 1998.
Belloni J., Tréguer M., Rémita H. & Keyzer R. De, Photosensitive silver halide emulsion
containing a metal carbonyl complex as a dopant, n° US 09/159, 225, Patent AGFA GV,
23 septembre 1998.
Belloni J., Rémita H., Tréguer M. & Keyzer R. De, Incorporation of platinium carbonyl
complexes in silver halide matrices, Agfa-Gevaert, Brevet Européen, Contrat industriel
1999.
Belloni J., Rémita H., Tréguer M. & Keyzer R. De, A photosensitive silver halide
element with increased photosensitivity, N° US 60/073, 789, Patent AGFA GV, 11
février 1999.
Roselli C. & Perly B., Utilisation de cyclodextrines naturelles ou modifiées pour
solubiliser et stabiliser des composés organiques de la famille des isothiocyanates,
B12984.3 MDT 1998.
73
Les productions ci-dessous sont celles des équipes P. Sebban et
F. Mérola qui rejoindront le laboratoire en 2002 et 2001,
respectivement.
Groupe Biophysique (Bio)
I.
ARTICLES DANS DES REVUES A COMITE DE LECTURE
(Structure et Fonctionnement des Protéines de Transferts d’électrons)
1998
Gupta S., Quirk P.G., Venning J.D., Slade J., Bizouarn T., Grimley R.L., Cotton N.P.,
and Jackson J.B. Mutation of amino acid residues in the mobile loop region of the
NAD(H)-binding domain of proton-translocating transhydrogenase, Biochim Biophys
Acta, 1409 (1), 25-38, 1998.
Jackson J.B., Quirk P.G., Cotton N.P., Venning J.D., Gupta S., Bizouarn T., Peake S.J.,
and Thomas C.M. Interdomain hydride transfer in proton-translocating
transhydrogenase, Biochim. Biophys. Acta. Review, 1365 (1-2), 79-86, 1998.
Kalman L., Sebban P., Hanson D.K., Schiffer M., and Maroti P. Flash-induced changes
in buffering capacity of reaction centers from photosynthetic bacteria reveal complex
interaction between quinone pockets, Biochim. Biophys. Acta (Bioenergetics), 1365,
513-521, 1998.
Rydstrom J., Hu X., Fjellstrom O., Meuller J., Zhang J., Johansson C., and Bizouarn T.
Domains, specific residues and conformational states involved in hydride ion transfer
and proton pumping by nicotinamide nucleotide transhydrogenase from Escherichia
coli., Biochim Biophys Acta. Review, 1365 (1-2), 10-16, 1998.
Valerio-Lepiniec M., Miksovska J., Schiffer M., Hanson D. K., and Sebban P. In bacterial
reaction centers, a key residue suppresses mutational blockage of two different proton
transfer steps, Biochemistry (accelerated publication), 37 (8), 2077-2083, 1998.
Venning J.D., Bizouarn T., Cotton N.P., Quirk P.G., and Jackson J.B. Stopped-flow
kinetics of hydride transfer between nucleotides by recombinant domains of protontranslocating transhydrogenase, Eur J Biochem., 257 (1), 202-209, 1998.
1999
Fjellstrom O, Bizouarn T, Zhang J.W., Rydstrom J., Venning J.D., and Jackson J.B.
Catalytic properties of hybrid complexes of the NAD(H)-binding and NADP(H)-binding
domains of the proton-translocating transhydrogenases from Escherichia coli and
Rhodospirillum rubrum, Biochemistry, 38 (1), 415-422, 1999.
74
Fjellstrom O, Axelsson M, Bizouarn T, Hu X, Johansson C, Meuller J, and J. Rydstrom.
Mapping of residues in the NADP(H)-binding site of proton-translocating nicotinamide
nucleotide transhydrogenase from Escherichia coli A study of structure and function., J.
Biol Chem., 274 (10), 6350-6359, 1999.
Hu X, Zhang J, Fjellstrom O, Bizouarn T, and Rydstrom J. Site-directed mutagenesis of
charged and potentially proton-carrying residues in the beta subunit of the protontranslocating nicotinamide nucleotide transhydrogenase from Escherichia coli.
Characterization of the beta H91, beta D392, and beta K424 mutants, Biochemistry, 38
(5), 1652-1658, 1999.
Miksovska J., Schiffer M., Hanson D. K., and Sebban P. Proton uptake by bacterial
reaction centers : the protein complex responds in a similar manner to the reduction of
either quinone acceptor, Proc. Natl. Acad. Sci. USA, 96, 14348-14353, 1999.
Miksovska J., Valerio-Lepiniec M., Schiffer M., Hanson D. K., and Sebban P. In bacterial
reaction centers, mutations in the environment of the primary quinone facilitate proton
delivery to the secondary quinone, Biochemistry, 38 (1), 390-398, 1999.
Tandori J., Sebban P., Michel H., and Baciou L. In Rb. sphaeroides reaction centers,
mutation of Proline L209 to aromatic residues in the vicinity of a water channel alters the
dynamic coupling between electron and proton transfer processes, Biochemistry, 40,
13179-13187, 1999.
2000
Alexov E., Miksovska J., Baciou L., Schiffer M., Hanson D. K., Sebban P., and Gunner
M.R. Modeling the Effects of Mutations on the Free Energy of the First Electron
Transfer from QA- to QB in photosynthetic reaction centers, Biochemistry, 39, 20, 59405952, 2000.
Bizouarn T., Fjellström O., Axelsson M., Korneenko T., Pestov N., Shakhparonov M.,
and Rydtsröm J. Interactions between the soluble domain 1 of transhydrogenase from
R. rubrum and transhydrogenase from E. coli. Effects on catalytic and H+ pumping, Eur
J. Biochem., 267 (11), 3281-3288, 2000.
Bizouarn T., Fjellström O., Meuller J., Axelsson M., Bergvkvist A., Johansson C.,
Karlsson G., and Rydström. J. Proton translocating nicotinamide nucleotide
transhydrogenase from E.coli. Mechanism of action deduced from its structural and
catalytic properties. Biochim., Biophys. Acta Review, 1457 (3), 211-228, 2000.
Bizouarn T., Meuller J., Axelsson M., and Rydström J. The transmembrane domain and
the proton channel in proton pumping transhydrogenase, Biochim. Biophys. Acta, 1459
(2-3), 284-290, 2000.
Kuglstatter A., Miksovska J., Sebban P., and Fritzsch G. Structure of the photosynthetic
reaction centre from rhodobacter sphaeroides reconstituted with anthraquinone as
75
primary quinone QA, FEBS Letters, 472, 114-116, 2000.
Photobiologie
1998
Garcia P., Mérola F., Receveur V., Blandin P., Minard P., and Desmadril M. Steadystate and time-resolved fluorescence study of residual structures in an unfolded form of
yeast phosphoglycerate kinase, Biochemistry, 37, 7444-7455, 1998.
Obsil T., Mérola F., Lewit-Bentley A., and Amler E. The isolated H4-H5 cytoplasmic loop
of Na+K+ATPase overexpressed in Escherichia coli retains its ability to bind ATP, FEBS
Letters, 426 (3), 297-300, 1998.
1999
Al Rabaa A.R., Tfibel F., Mérola F., Pernot P., and Fontaine-Aupart M.P. Spectroscopic
and photophysical study of an anthryl probe : DNA binding and chiral recognition, J.
Chem. Soc. Perkin Transactions II, 2, 341-351, 1999.
Couprie M.E., Roux R., Nutarelli D., Renault E., and Billardon M. Inter-dependence of
the electron beam excitations with the Free Electron Laser stability on the Super-ACO
storage ring., Nuclear. Instr. meth. A, 429, 165-171, 1999.
Haouz A., El Moshni S., Zentz C., Mérola F., and Alpert B. Heterogeneous motions
within human Apohemoglobin, European Journal of Biochemistry, 264, 250-257, 1999.
Nahon L., Renault E., Couprie M.E., Mérola F., Dumas P., Marsi M., Taleb-Ibrahimi A.,
Nutarelli D., Roux R., and Billardon M. Applications of UV-storage ring free electron
lasers : the case of Super-ACO, Nuclear Instruments and Methods A, 429, 489-496,
1999.
Walker R. P., Diviacco B., Fava C., Gambitta A., Marsi M., Mazzolini F., Couprie M.E.,
Nahon L., Nutarelli D., Renault E., Roux R., Polle M., Bliss N., Chesworth A., Clarke J.
A., Nölle D., Quick H., Dattoli G., Giannessi L., Mezi L., Ottaviani P. L., Torre A.,
Eriksson M., and Werin W. European Project to Develop a UV/VUV Free-Electron Laser
Facility on the ELETTRA Storage Ring, Nuclear. Instr. meth. A, 429, 179-184, 1999.
2000
Häfner A., Mérola F., Duportail G., Hutterer R., Schneider F.W., and Hof M. Calciuminduced conformational change in fragment 1-86 of factor X, Biopolymers, 57 (4), 226234, 2000.
Martinez K., Corringer P.J., Edelstein S.J., Changeux J.P., and Mérola F. Structural
differences in the two agonist binding sites of the Torpedo nicotinic acetylcholine
receptor revealed by time-resolved fluorescence spectroscopy, Biochemistry, 39 (23),
6979-6990, 2000.
76
Nutarelli D., Garzella D., Renault E., Nahon L., and Couprie M.E. Super ACO FEL
oscillation at 300 nm, Nuclear. Instr. meth. A, 445, 143-148, 2000.
2001
Althage M., Bizouarn T & Rydström J. Characterisation of a region involved in the
communication between NADP(H) binding/release and proton pumping in intact E.coli
nicotinamide nucleotide transhydrogenase, Biochemistry, 40 (33), 9968-9976, 2001.
Carles S., Desfrançois C., Schermann J. P., Bergès J. & Houée-Levin C. Rydberg
electron transfer spectroscopy and ab initio studies of dimethylsulfoxide-water neutral
and anion dimers, Int. J. Mass Spectrometry, 205, 227-232, 2001.
Carles S., Lecomte F., Schermann J. P, Desfrançois C., Xu S., Nilles J. M., Bowen K.
H., Bergès J. & Houée-Levin C. Non-dissociative electron capture by disulfide bonds, J.
Phys. Chem A, sous presse, 2001.
Chapelier A., Desmadril M. & Houée-Levin C. Gamma-radiation effects on lactalbumin, Can. J. Pharmacol. Physiol., 79, 154-157, 2001.
Grellier P., Sarlauskas J., Anusevicius S., Houée-Levin C., Schrevel J. & Cenas N.
Antiplasmodial activity of nitroaromatic and quinoidal compounds : redox potentials vs ;
inhibition of human erythrocyte glutathione reductase, Arch. Biochem. Biophys., 393,
199-206, 2001.
Houée-Levin C. Macromolécules biologiques : Introduction à l'action Biologique des
rayonnements ionisants, Nauwelaerts Editions, Bruxelles, 53-68, 2001.
Houée-Levin C. & Sicard-Roselli C. Radiation chemistry of proteins in Radiation
chemistry : present status and future prospects, C. Jonah et B. M. Rao, eds. Elsevier,,
pp. 553-584, 2001.
Kuglstatter A., Ermler U., Michel H., Baciou L. & Fritzsch G. X-Ray Structure Analyses
of Photosynthetic Reaction Center Variants from Rhodobactersphaeroides : Structural
Changes Induced by Point-Mutations at Position L209 Modulate Electron and Proton
Transfer, Biochemistry, 40 (14), 4253-4260, 2001.
Laguitton-Pasquier H., Martre A. & Deronzier A. Photophysical properties of soluble
polypyrrole ruthenium (II) complexes, J. Phys. Chem. B, 105 (21), 4801-4809, 2001.
Lombard M., Houée-Levin C., Touati D., Fontecave M. & Nivière V. Superoxide
reductase from Desulfoarculus baarsii : reaction mechanism and role of Glutamate 47
and Lysine 48 in catalysis, Biochemistry, 40, 5032-5040, 2001.
Nivière V., Lombard M., Fontecave M. & Houée-Levin C. Pulse radiolysis studies on
Superoxide reductase from Treponema Pallidum, FEBS, 497, 171-173, 2001.
Privat E., Melvin T., Mérola F., Schweizer G., Prodhomme S., Asseline U. & Vigny P.
Fluorescent properties of oligonucleotide conjugated thiazole orange probes,
Photochem. Photobiol., sous presse, 2001.
77
Sicard-Roselli C., Perly B. & Bas G. Le. The respective benefits of X-ray cristallography
and NMR for the structural determination of the inclusion complex betterave butylisothiocyanate and alpha-cyclodextrin, J. Inclusion Phenomena., 39 (3/4), 333-337,
2001.
Tandori J., Baciou L., Alexov E., Maroti P., Schiffer M., Hanson D.K. & Sebban P.
Revealing the involvement of extended hydrogen-bond networks in thecooperative
function between distant sites in bacterial reaction centres, J. Biol. Chem., 276 (49),
45513-45515, 2001.
** Steenkeste K., Guiot E., Tfibel F., Pernot P., Mérola F., Georges P. & FontaineAupart M.P. Camptothecine-guanine interactions : mechanism of charge transfer
reaction upon photoexcitation. Special issue on "Photoprocesses in multichromophoric
molecular assemblies", Chem. Physics, in press., 275 (1/3), 2001.
CONFERENCE PROCEEDINGS
1998
Mérola F., Fontaine-Aupart M.P., Renault E., Polewski K., Couprie M.E., Garzella D.,
Nahon L., and Billardon M., Time-resolved Spectroscopy of biological molecules using a
ultraviolet free-electron laser, in “Proceedings OEMF spa, 12th International Congress
on Photobiolgy (ICP'96)”, 193-199, 1998.
Nutarelli D., Couprie M.-E., Renault E., Roux R., Nahon L., Delboubé A., Boccara C.,
and Billardon M., Complete characterisation of UV dielectric multilayers mirrors for
performance improvment Applications of Free Electron Lasers : the case of SuperACO., in “Proceedings of the 20th international FEL conference” (Williamsburg (VA,
USA)), 16-21 août 1998.
1999
Miksovska J., Schiffer, M., Hanson, D. K., Sebban, P., Proton Uptake by Bacterial
Reaction Centers : The Protein Complex Responds in a Similar Manner to the
Reduction of Either Quinone Acceptor, in “Proc. Natl. Acad. Sci. USA”, 96, pp. 1434814353, 1999.
Nahon L., Renault E., Couprie M-E., Nutarelli D., Garzella D., Billardon M., Carr G. L.,
Williams G. P., and Dumas P., Two-color experiments combining the UV-Storage Ring
Free Electron Laser and the SA5 IR beamline at Super-ACO, in “Proceedings SPIE,
Accelerator-based sources of Infra-Red and spectroscopic applications”, 3775, pp. 145154, 1999.
Renault E., Nutarelli D., Garzella D., Couprie M.E., and Billardon M., UV dielectric
multilayers mirrors for Free Electron Lasers, in “Proceedings SPIE, Advances in Optical
Interference Coatings”, 3738, pp. 354-365, 1999.
2000
78
Couprie M.-E., Garzella D., Hirsch M., Monneron G., Nahon L., De Ninno G., Nutarelli
D., and Renault E., Possible Microstructure in the Super-ACO FEL Pulse, in
“Proceedings of the EPAC 2000” (Vienne (Autriche)), 26-30 June 2000.
Hirsch M., Couprie M.-E., De Ninno G., Garzella D., Nahon L., Nutarelli D., and Renault
E., The Super-ACO Free Eletron Laser Source, in “Proceedings of the EPAC 2000”
(Vienne (Autriche)), 26-30 June 2000.
Renault E., Nahon L., Nutarelli D., Garzella D., Mérola F., and Couprie M.E., Transient
Absorption Spectroscopy using the Super-ACO storage ring FEL, in “Proceedings of
SPIE, Biomedical applications of Free-Electrons Lasers” (SPIE's International
Symposium on BiOS 2000. San Jose, California, 21-28 january 2000), 3925, pp. 29-39,
2000.
Roux R., Bracco R., Diviacco B., Ferianis M., Gambitta A., Godnig R., Loda G., Marsi
M., Mazzolini F., Pangon G., Pangos N., Svandrlik M., Trovò M., Walker R.P.,
Zangrando D., Couprie M. E., Garzella D., Nahon L., Nutarelli D., Renault E., Poole
M.W., Bliss N., Chesworth A., Clarke J. A., Nölle D., Quick H., Dattoli G., Giannessi L.,
Mezi L., Ottaviani P. L., Torre A., Eriksson M., and Werin S., Status of the European
storage ring FEL project at ELETTRA Free Electron Lasers 1999, B.V., in “Proceedings
of 21st International Free Electron Laser Conference” (Hamburg, (Allemagne)), pp. II21II22, 23-28 août 2000.
Walker R.P., Abrami A., Battistello L., Bliss N., Bracco R., Chesworth A.A., Clarke J.A.,
Couprie M.-E., Dattoli G., Diviacco B., Eriksson M., Fava C., Fell B., Ferianis M.,
Gambitta A., Garzella D., Giannessi L., Godnig R., Hill C., Iazzourene F., Loda G.,
Lonza M., Marl R., Marsi M., Mazzolini F., Mezi L., Mullacrane I.D., Nahon L., Nolle D.,
Nutarelli D., Ottaviani P.L., Pangon G., Pangos N., Pasqualetto M., Poole M.W., Pradal
F., Quick H., Reid R.J., Renault E., Roux R., Svandrlik M., Torre A., Tromba G., Trov M.,
Vascotto A., Visintini R., Werin S., Wille K., and Zangrando D., The European UV/VUV
Storage Ring FEL project at Elettra (sous presse), in “Proceedings of the EPAC 2000”
(Vienne (Autriche)), 26-30 June 2000.
CONFERENCES INTERNATIONALES INVITEES
Renault E., Nahon L., Nutarelli D., Garzella D., Guillou T., Couprie M.E., Mérola F., and
Billardon M., Perspective of the Transient Absorption Spectroscopy: ionization of DNA
components in aqueous solution, in “EMBO Workshop "Potential Future Applications in
Structural Biology of X-ray Free Electron Laser at DESY"” (Hamburg, 4-8 July), 1999.
Renault E., Transient Absorption Spectroscopy in Biology Using the Super-ACO Storage
Ring FEL and the Synchrotron Radiation Combination, in “22nd International Free
Electron Laser Conference and 7th FEL Applications Workshop at DUKE Free Electron
Laser Laboratory” (Durham, U.S.A.), 13-18 août 2000.
Mérola F., Martinez K.L., Corringer P.J., Edelstein S.J. & Changeux J.P. Time-resolved
fluorescence as a tool for probing the structure and pharmacology of agonist binding
sites in a ligand-gated ion channel: application to the Torpedo nicotinic acetylcholine
79
receptor "9th European Conference on the Spectroscopy of Biological Molecules
(ECSBM)" (Prague, Czech Republic), September 8-13 2001.
Sebban P. Proton uptake and quinone connection in bacterial reaction center "Congrès
International de Photosynthèse" (Brisbane), 2001.
Sebban P. Proton uptake and quinone connection in the bacterial reaction centre
"Congrès jumelé des sociétés allemande et française de Biophysique : Biophysical
aspects of electron and proton transfer" (Hundfeld, Allemagne), mai 2001.
CONFERENCES NATIONALES INVITEES
Renault E., Mirrors of the ELETTRA storage ring FEL project, in “3rd project meeting
Development of a combined Synchrotron Radiation and VUV Free Electron Laser
Facility” (Daresbury, Angleterre)), 23 Novembre 1998.
Renault E., Nutarelli D., and Couprie M.E., Optiques UV pour SOLEIL., in “APD
SOLEIL” (Gif sur Yvette), 16 septembre 1998.
Couprie M. E., Nutarelli D., Roux R., Garzella D., Renault E., Nahon L., and M.
Billardon, Localized heating of the Super-ACO FEL, in “21st International Free Electron
Laser Conference and the 6th FEL Application Workshop” (Hamburg, Allemagne), 2328 août 1999.
Renault E., Super-ACO Storage Ring FEL and its applications, in “7th Annual Workshop
on European Synchrotron Light Sources” (Berlin, (Allemagne)), 7-9 novembre 1999.
Renault E., Photobiology by the transient absorption of different FEL excited
chromophoric compounds at Super-ACO Storage Ring FEL, in “21st International Free
Electron Laser Conference and 6th FEL Applications Workshop” (Hamburg,
(Allemagne), 23-28 août 1999.
Renault E., The operation of the Super-ACO FEL source, in “First network meeting "
Towards a Storage Ring Free Electron Laser at 200 nm "” (Orsay), 1-2 février 1999.
Renault E. and Merola F., Transient absorption in the UV, in “First network meeting "
Towards a Storage Ring Free Electron Laser at 200 nm "” (Orsay), 1-2 février 1999.
Renault E., Nahon L., Nutarelli D., Garzella D., T.Guillou, Dumas P., Couprie M.-E.,
Mérola F., Marsi M., Taleb-Ibrahimi A., Carr L., and Billardon M., Applications of the
Super-ACO Storage Ring Free Electron Laser (poster), in “21st International Free
Electron Laser Conference and the 6th FEL Application Workshop” (Hamburg,
Allemagne), 23-28 août 1999.
Roux R., Diviacco B., Ferianis M., Gambitta A., Loda G., Marsi M., Mazzolini F., Pangos
N., Svandrlik M., M.Trovo, Walker R. P., Couprie M.E., Garzella D., Nahon L., Nutarelli
D., Renault E., Poole M. W., Bliss N., Chesworth A., Clarke J. A., Quick H., Dattoli G.,
Giannessi L., Mezi L., Ottaviani P. L., Torre A., Eriksson M., and S. Werin, Status of the
80
ELETTRA storage ring FEL project, in “21st International Free Electron Laser
Conference and the 6th FEL Application Workshop” (Hamburg, Allemagne), 23- 28 août
1999.
Carré V., Gustavsson T., and Renault E., Femtosecond Spectroscopic Study of
Cytosine (poster), in “Ecole Femto 2000 : Première école des technologies des sources
et des systèmes femtosecondes” (Saint-Etienne), 2-6 octobre 2000.
Dattoli G., Giannessi L., Mezi L., Renieri A., Couprie M.-E., Ninno G. De, Garzella D.,
Nutarelli D., Renault E., and Roux R., S.R. FEL pulse propagation problems and e-beam
instabilities (poster), in “22nd International Free Electron Laser Conference and 7th FEL
Applications Workshop at DUKE Free Electron Laser Laboratory” (Durham, U.S.A.), 1318 août 2000.
Ninno G. De, Garzella D., Hirsch M., Nahon L., Nutarelli D., Renault E., and M.-E.
Couprie, FEL-beam interaction in a Storage Ring: new model versus experimental
results (poster), in “22nd International Free Electron Laser Conference and 7th FEL
Applications Workshop at DUKE Free Electron Laser Laboratory” (Durham, U.S.A.), 1318 août 2000.
Renault E. Applications du Laser à Électrons Libres de Super-ACO et production de
photons gamma par rétrodiffusion Compton "JECR 2000 : Journées d'Etudes de la
Chimie sous Rayonnement" (Houffalize, Belgique), 20-25 mai 2000.
Renault E., Transient Absorption Spectroscopy using the Super-ACO Storage Ring FEL,
in “Bios 2000 : International Biomedical Optics Symposium / Biomedical Applications of
Free-Electron Lasers” (San Jose, U.S.A.), 23-28 janvier 2000.
Sicard-Roselli C., Jacquot J.-P., and Houée-Levin C. One-electron oxidation of
thioredoxin : role of tryptophan residues. "Gordon Conference on Radiation Chemistry"
(Plymouth, NH), juin 2000.
Baciou L. Données structurales concernant les centres réactionnels "La quinone dans
tous ses états" (Saint-Rémy-les-Chevreuse), novembre 2001.
Bizouarn T. Assymétrie structurale et fonctionelle de la nicotinamide nucléotide
transhydrogénase "Congrès du Groupe Francais de Bioénergétique" (Dourdan, France),
28 sept-1 oct 2001.
Sebban P. Les quinones : transferts d'électrons et de protons "La quinone dans tous ses
états" (Saint-Rémy-les-Chevreuse), novembre 2001.
Sebban P. Effet de la fixation des métaux de transition sur les centres réactionnels
bactériens : la pénétration des protons implique des voies multiples "Congrès du Groupe
Français de Bioénergétique" (Dourdan), septembre 2001.
LIVRE OU CHAPITRE DE LIVRE
81
Mérola F., Fontaine M.P., Renault E., Polewski K., Couprie M.E., Garzella D., Nahon L.,
and Billardon M. Time-resolved spectroscopy of biological molecules with an ultraviolet
Free-Electron Laser in Landmarks in Photobiology Hönigsmann H., Knobler R.M.,
Trautinger F. and Jori G. Eds., (OEMF Spa, Milan), pp. 193-199, 1998.
Houée-Levin C. Macromolécules biologiques dans Introduction à l'action biologique des
rayonnements ionisants,:, Vol. sous presse, 2001.
Houée-Levin C. & Sicard-Roselli C. Radiation chemistry of proteins in Radiation
chemistry : present status and future prospects, C. Jonah et B. M. Rao, eds. Elsevier,,
pp. 553-584, 2001.
Laguitton-Pasquier H., Pevenage D., Ballet P., Vuorimaa E., Lemmetiynen H., Jeuris K.,
De Schryver F.C. & Van Der Auweraer M. Space and Time resolved Spectroscopy of
two-Dimensional Molecular Assemblies. "New Trends in Fluorescence Spectroscopy:
Applications to Chemical and Life Sciences" in Springer Series on Fluorescence :
Methods and Applications, Eds. O. Wolfbeiss B. Valeur, J.-C. Brochon Eds., (Springer
Verlag Heidelberg), pp. 99-125 (27 pages), 2001.
82
** Thèmes Transversaux (récapitulatif)
2001
** Boissel, S.P., Joblin, C. & Pernot., P. (2001) Singular Value Decomposition : a tool
to separate elementary contributions in ISOCAM spectral maps, Astronomy and
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