Conformational Effects on the Optical Rotation of Alanine and Proline
... significantly improves on the HF results for optical rotation, especially when hybrid functionals are used.11 In fact, in most cases DFT/B3LYP gives results of a quality comparable to that of CCSD.13 The main purpose of this study is to investigate the dependence of the optical rotation on the confo ...
... significantly improves on the HF results for optical rotation, especially when hybrid functionals are used.11 In fact, in most cases DFT/B3LYP gives results of a quality comparable to that of CCSD.13 The main purpose of this study is to investigate the dependence of the optical rotation on the confo ...
Document
... Wineland squeezing are of fully separable form In particular, there can be entangled states with ...
... Wineland squeezing are of fully separable form In particular, there can be entangled states with ...
THE DIFFUSION MECHANISM OF HYDROCARBONS IN... Jirong Xiao B.S., East China Institute of Chemical Technology
... ZSM-5, patented by Argauer and Landolt (1972), is a 10-membered ring zeolite with two distinct sets of intersecting channels. Near circular sinusoidal channels with a free cross section of 5.4 + 0.2 A are parallel to the a-axis or 100]. Elliptical straight channels with a free cross section of 5.7- ...
... ZSM-5, patented by Argauer and Landolt (1972), is a 10-membered ring zeolite with two distinct sets of intersecting channels. Near circular sinusoidal channels with a free cross section of 5.4 + 0.2 A are parallel to the a-axis or 100]. Elliptical straight channels with a free cross section of 5.7- ...
Entanglement Spectrum in the Fractional Quantum Hall Effect
... classical or quantum orders that can be described by the paradigm of Landau’s symmetry breaking theory. This new type of order is robust upon local perturbations and cannot be described by a symmetry or a broken symmetry. In particular, this order is characteristic of ground state wave functions and ...
... classical or quantum orders that can be described by the paradigm of Landau’s symmetry breaking theory. This new type of order is robust upon local perturbations and cannot be described by a symmetry or a broken symmetry. In particular, this order is characteristic of ground state wave functions and ...
THEORETICAL AND COMPUTATIONAL METHODS
... Visual depiction of D3h point symmetry group [LL03]. It is the same as C3v (Fig. 2.4), with the addition of three horizontal axes of symmetry of the second order intersecting at π/3. . . . . . . . . . . . . . . . . . . . . . . . . . ...
... Visual depiction of D3h point symmetry group [LL03]. It is the same as C3v (Fig. 2.4), with the addition of three horizontal axes of symmetry of the second order intersecting at π/3. . . . . . . . . . . . . . . . . . . . . . . . . . ...
EGAS41
... Interatomic Coulombic decay of the Ne2+ (2s1 2p5 )Ar states populated via the K-LL Auger decay of Ne Ph.V. Demekhin, Y.-C. Chiang, S.D. Stoychev, A.I. Kuleff, F. Tarantelli, P. Kolorenč, L.S. Cederbaum CP 17, p77 New view on the description of the hyperfine structure of free atoms and ions. Case of ...
... Interatomic Coulombic decay of the Ne2+ (2s1 2p5 )Ar states populated via the K-LL Auger decay of Ne Ph.V. Demekhin, Y.-C. Chiang, S.D. Stoychev, A.I. Kuleff, F. Tarantelli, P. Kolorenč, L.S. Cederbaum CP 17, p77 New view on the description of the hyperfine structure of free atoms and ions. Case of ...
Metal-to-ligand and ligand-to-metal charge transfer in thin films of
... The same method 1 was used for the elaboration of the corresponding NaCoFe thin films but led to the formation of the totally reduced form. In order to limit the formation of this undesired form, a new method was developed: the membrane was soaked alternately in 50 mM water solution of CoCl2 6H2O (1 ...
... The same method 1 was used for the elaboration of the corresponding NaCoFe thin films but led to the formation of the totally reduced form. In order to limit the formation of this undesired form, a new method was developed: the membrane was soaked alternately in 50 mM water solution of CoCl2 6H2O (1 ...
184
... a For each entry: first line, moments of inertia (amu bohr2); second line, frequencies (cm-1); based on 1H, 11B, and 35Cl; additional values: H , ...
... a For each entry: first line, moments of inertia (amu bohr2); second line, frequencies (cm-1); based on 1H, 11B, and 35Cl; additional values: H , ...
Influence of Protonation State on the Excited State Dynamics of a
... absorption maximum by 5 nm (0.05 eV). By contrast, addition of NaOH caused a global decrease in the absorption signature of RuH, with the disappearance of the two distinct bands characterizing the neutral species to yield a single broad band near 380 nm. These changes are similar to what was observe ...
... absorption maximum by 5 nm (0.05 eV). By contrast, addition of NaOH caused a global decrease in the absorption signature of RuH, with the disappearance of the two distinct bands characterizing the neutral species to yield a single broad band near 380 nm. These changes are similar to what was observe ...
Here - Science Advances
... the first measurements of the torques exerted on wave plates (1). Versions of these optomechanical effects now appear in experiments on optical trapping and manipulation (2) and enable the remote detection of rotation (3). Angular momentum effects are also emerging in the radiofrequency domain, for ...
... the first measurements of the torques exerted on wave plates (1). Versions of these optomechanical effects now appear in experiments on optical trapping and manipulation (2) and enable the remote detection of rotation (3). Angular momentum effects are also emerging in the radiofrequency domain, for ...
Structural and Spectroscopic Studies of Solvated Metal Ions Alireza Abbasi Doctoral Thesis
... Crystallographic and spectroscopic studies have been performed of structures, coordination and chemical bonding for series of trivalent metal ions solvated by two oxygen-coordinating solvents, water and dimethyl sulfoxide (DMSO). The hydrated scandium(III) and lanthanoid(III) ions, La to Lu, are sur ...
... Crystallographic and spectroscopic studies have been performed of structures, coordination and chemical bonding for series of trivalent metal ions solvated by two oxygen-coordinating solvents, water and dimethyl sulfoxide (DMSO). The hydrated scandium(III) and lanthanoid(III) ions, La to Lu, are sur ...
24_(582-588)(완료)E14120 ed-Jin-Kyu Yang.hwp
... emitter introduces an additional nonradiative decay channel which depends only on the material property of the metal. Therefore, as the size of Ag increases, the nonradiative decay rate is enhanced, while there is no significant polarization dependence and no wavelength shift [31]. This is ...
... emitter introduces an additional nonradiative decay channel which depends only on the material property of the metal. Therefore, as the size of Ag increases, the nonradiative decay rate is enhanced, while there is no significant polarization dependence and no wavelength shift [31]. This is ...
Full-Text PDF
... tomography (OCT), infrared thermography, electrical impedance, and vibrational spectroscopy have been tested for detection of melanoma [9,10]. Dermoscopy involves the use of a handheld microscope with a magnification lens and polarized light to examine the suspect lesion down to the deeper dermis st ...
... tomography (OCT), infrared thermography, electrical impedance, and vibrational spectroscopy have been tested for detection of melanoma [9,10]. Dermoscopy involves the use of a handheld microscope with a magnification lens and polarized light to examine the suspect lesion down to the deeper dermis st ...
Polarization and angle dependence for hyper-Rayleigh scattering from local
... effect of the finite (and often large) light-collection aperture in the usual HRS experiments. Equations (3)–(6) and (10)–(17) are expanded to second order for the inplane (⌬) and out-of-plane (⌬) angular deviations from the nominal scattering direction and averaged over the light-collection angul ...
... effect of the finite (and often large) light-collection aperture in the usual HRS experiments. Equations (3)–(6) and (10)–(17) are expanded to second order for the inplane (⌬) and out-of-plane (⌬) angular deviations from the nominal scattering direction and averaged over the light-collection angul ...
Threshold Collision-Induced Dissociation Determination and
... acetonitrile obtained with and without the kinetic shift consideration are comparable (i.e., the kinetic shifts are insignificant), thus rendering the details of the choice for the transition states and vibrational frequencies relatively unimportant. Even for benzonitrile, the largest ligand, the ki ...
... acetonitrile obtained with and without the kinetic shift consideration are comparable (i.e., the kinetic shifts are insignificant), thus rendering the details of the choice for the transition states and vibrational frequencies relatively unimportant. Even for benzonitrile, the largest ligand, the ki ...
Lokshin2011
... 1. By the methods of IR, UV-Vis spectroscopy and quantum chemistry, the possibility of obtaining photochromic systems based on cymantrene derivatives containing mono- and bifunctional n-donor and p-donor substituents was studied. 2. When irradiated by a mercury lamp, the CO molecule is abstracted fr ...
... 1. By the methods of IR, UV-Vis spectroscopy and quantum chemistry, the possibility of obtaining photochromic systems based on cymantrene derivatives containing mono- and bifunctional n-donor and p-donor substituents was studied. 2. When irradiated by a mercury lamp, the CO molecule is abstracted fr ...
Controlling Chemical Reactions by Short, Intense Mid
... polarized pulses with a maximum field strength of 0.06 au can be compared to linearly polarized pulses averaged over ϕ = 0−360°. The yield of H and HCl+ is much less for linear polarized light than for circularly polarized light with the same maximum field strength. The field strength for the linear po ...
... polarized pulses with a maximum field strength of 0.06 au can be compared to linearly polarized pulses averaged over ϕ = 0−360°. The yield of H and HCl+ is much less for linear polarized light than for circularly polarized light with the same maximum field strength. The field strength for the linear po ...
1 mol H 2 O
... • This is the gram formula mass of water. • This is the molar mass of water. • The gram formula mass (molar mass) is the molecular mass of the substance in grams. ...
... • This is the gram formula mass of water. • This is the molar mass of water. • The gram formula mass (molar mass) is the molecular mass of the substance in grams. ...
Simultaneous Generation of Different Types of Ion Pairs upon
... an intense band centered at 700 nm, some admixture of the D*A wavefunction with that of D•+A•- could lead to the observed broad and red-shifted TA spectrum. This interpretation is corroborated by recent TA measurements performed with nitroperylene (NPe).39 In nonpolar solvents, the TA spectrum of NP ...
... an intense band centered at 700 nm, some admixture of the D*A wavefunction with that of D•+A•- could lead to the observed broad and red-shifted TA spectrum. This interpretation is corroborated by recent TA measurements performed with nitroperylene (NPe).39 In nonpolar solvents, the TA spectrum of NP ...
PCCPwww
... centres to operate. Copper(I) exchanged zeolites can be considered as the best known type of inorganic tri-dimensionally organized catalysts, because of their crystalline structure and of the controlled dispersion of the metal centres which ensure a good structural definition to the adsorbing sites.2 ...
... centres to operate. Copper(I) exchanged zeolites can be considered as the best known type of inorganic tri-dimensionally organized catalysts, because of their crystalline structure and of the controlled dispersion of the metal centres which ensure a good structural definition to the adsorbing sites.2 ...