research papers
... Kleywegt & Jones (1996). †† R and Rfree = hkl jFobs j jFcalc j= hkl jFobs j, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively. Rfree was calculated with a random 5% subset of all reflections that was excluded from the refinement. ...
... Kleywegt & Jones (1996). †† R and Rfree = hkl jFobs j jFcalc j= hkl jFobs j, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively. Rfree was calculated with a random 5% subset of all reflections that was excluded from the refinement. ...
Brief Review of Liquid Crystals
... shape should not exist? They will run into a fluid while their physical properties should be anisotropic like those of other crystals and they should grow from oversaturated solutions. Cholesterolbenzoate was undoubtedly one of such liquid crystals. That reasoning of Leman resulted in the discovery ...
... shape should not exist? They will run into a fluid while their physical properties should be anisotropic like those of other crystals and they should grow from oversaturated solutions. Cholesterolbenzoate was undoubtedly one of such liquid crystals. That reasoning of Leman resulted in the discovery ...
Aalborg Universitet Spontaneous emission in two-dimensional photonic crystal microcavities Søndergaard, Thomas
... rable to the emission wavelength of concern. Therefore, position dependence must be included for accurate modeling of spontaneous emission in photonic crystals and microcavities. In this paper, we will model spontaneous emission rate alteration through the concept of the position-dependent photon de ...
... rable to the emission wavelength of concern. Therefore, position dependence must be included for accurate modeling of spontaneous emission in photonic crystals and microcavities. In this paper, we will model spontaneous emission rate alteration through the concept of the position-dependent photon de ...
From the Metal to the Molecule
... nonmetal atoms leads, by progressive condensation of the clusters, to increasingly extended metallic regions.[5] Such subvalent compounds are not only known for electron-deficient s-, d-, and f-metals, but also for p-(semi-) metals albeit with far fewer examples. For example, recently significant pr ...
... nonmetal atoms leads, by progressive condensation of the clusters, to increasingly extended metallic regions.[5] Such subvalent compounds are not only known for electron-deficient s-, d-, and f-metals, but also for p-(semi-) metals albeit with far fewer examples. For example, recently significant pr ...
3 Minerals
... and is full in neon (atomic number 10). In heavier elements, the next shell can have 18 electrons, and the shell after that one can have 32 electrons. Neon, for example, has 10 protons in the nucleus and 10 electrons, of which 2 are in the first shell and 8 are in the second shell. A neon atom does ...
... and is full in neon (atomic number 10). In heavier elements, the next shell can have 18 electrons, and the shell after that one can have 32 electrons. Neon, for example, has 10 protons in the nucleus and 10 electrons, of which 2 are in the first shell and 8 are in the second shell. A neon atom does ...
while N~~((CH~)N(CH~CH~)~N}~[P~~(CZS~)(S~)~(S~)~~CH~~H
... GOF = 2.88. Semiquantitative analysis of the crystal using the from the methanothermal reaction of K2PdC4, K2S4, and SEhVEDS technique showed the KPd:S atomic ratio as 0.60:1.0:4.2. (c) ((CH3)3N(CH2CH2)N(CH3)3}12in a 1:3:1 molar ratio at 80 "C. Crystal data for _ N ~ Z ( ( C H ~ ) N ( C H Z C H Z ) ...
... GOF = 2.88. Semiquantitative analysis of the crystal using the from the methanothermal reaction of K2PdC4, K2S4, and SEhVEDS technique showed the KPd:S atomic ratio as 0.60:1.0:4.2. (c) ((CH3)3N(CH2CH2)N(CH3)3}12in a 1:3:1 molar ratio at 80 "C. Crystal data for _ N ~ Z ( ( C H ~ ) N ( C H Z C H Z ) ...
Magnitude and nature of the quadratic electro
... graphic axes. The dimensions of the crystals are shown in Table 1. To apply an electric field parallel to the x crystallographic axis, each sample was coated with conducting paint on its two faces parallel to the yz plane. The specimens were placed in the measurement arm of the interferometer and po ...
... graphic axes. The dimensions of the crystals are shown in Table 1. To apply an electric field parallel to the x crystallographic axis, each sample was coated with conducting paint on its two faces parallel to the yz plane. The specimens were placed in the measurement arm of the interferometer and po ...
Non-native transition metal monoxide nanostructures
... h-CoO phase is significant due to not only fundamental scientific interest in synthetic strategies and mechanisms for new materials but also technological interest in newly emerging unique magnetic and electrochemical properties of these materials. Selective syntheses of colloidal h-CoO and c-CoO Ther ...
... h-CoO phase is significant due to not only fundamental scientific interest in synthetic strategies and mechanisms for new materials but also technological interest in newly emerging unique magnetic and electrochemical properties of these materials. Selective syntheses of colloidal h-CoO and c-CoO Ther ...
Ligand Conformation Enforces Trigonal
... is EPR silent at room temperature and 77 K, thus suggesting a strongly antiferromagnetically coupled dinuclear compound. Description of the Crystal Structure. Table 1 lists the crystallographic data for complex 1, which crystallizes as green single crystals that belong to the triclinic system, space ...
... is EPR silent at room temperature and 77 K, thus suggesting a strongly antiferromagnetically coupled dinuclear compound. Description of the Crystal Structure. Table 1 lists the crystallographic data for complex 1, which crystallizes as green single crystals that belong to the triclinic system, space ...
Cryo-trapping the Six-coordinate, Distorted
... tures were ®ve-coordinate and azide complexes had a 6-coordinate distorted-octahedral active site manganese ion (Lah et al., 1995). Cryogenic X-ray absorption spectroscopy of the iron site in FeSOD indicated that at neutral pH the iron atom is ®vecoordinate, at pH 10.5 it is six-coordinate and at pH ...
... tures were ®ve-coordinate and azide complexes had a 6-coordinate distorted-octahedral active site manganese ion (Lah et al., 1995). Cryogenic X-ray absorption spectroscopy of the iron site in FeSOD indicated that at neutral pH the iron atom is ®vecoordinate, at pH 10.5 it is six-coordinate and at pH ...
3.091 Summary Lecture Notes, Fall 2009
... o e- discharge tube (vacuum tube with a large voltage (~35,000V’s) applied between two electrodes (cathode and anode (target)) o accelerate e- through a vacuum o e- ‘crash’ into anode (target), ejecting bound e- from core shells o e- from higher orbitals ‘cascade down’, releasing high energy pho ...
... o e- discharge tube (vacuum tube with a large voltage (~35,000V’s) applied between two electrodes (cathode and anode (target)) o accelerate e- through a vacuum o e- ‘crash’ into anode (target), ejecting bound e- from core shells o e- from higher orbitals ‘cascade down’, releasing high energy pho ...
load resonant measurements of quartz crystals
... The "Physical Capacitor" method typically can provide the specified drive current into the crystal. The crystal is in resonance with the physical capacitor and the resulting combination presents a low impedance to the PI Network. Non- linear crystal responses at the load resonant frequency are also ...
... The "Physical Capacitor" method typically can provide the specified drive current into the crystal. The crystal is in resonance with the physical capacitor and the resulting combination presents a low impedance to the PI Network. Non- linear crystal responses at the load resonant frequency are also ...
The solidification of a disk-shaped crystal from a weakly
... constant potential. Thus, knowing the capacitance of a thin disk and assuming its thickness evolves slowly, the radial growth rate can be estimated. The analogy assumes that the disk is perfectly conducting (which is a good approximation for ice growth from the vapour phase but not the liquid phase) ...
... constant potential. Thus, knowing the capacitance of a thin disk and assuming its thickness evolves slowly, the radial growth rate can be estimated. The analogy assumes that the disk is perfectly conducting (which is a good approximation for ice growth from the vapour phase but not the liquid phase) ...
Novel optical phenomena with photonic crystals
... be shown35 that the gradient vector ∂ω/∂k to such a dispersion contour continues to give the group velocity, i.e. the spatially-averaged Poynting vector, of the photonic modes. The above approach can thus be generalized to the case with photonic crystals. Due to the strong optical modulation in the ...
... be shown35 that the gradient vector ∂ω/∂k to such a dispersion contour continues to give the group velocity, i.e. the spatially-averaged Poynting vector, of the photonic modes. The above approach can thus be generalized to the case with photonic crystals. Due to the strong optical modulation in the ...
Solids - Pharmaceutical Press
... crystal habits of a hexagonal crystal. Although there may not be significant differences in the bioavailability of drugs with different crystal habits, the crystal habit is of importance from a technological point of view. The ability to inject a suspension containing a drug in crystal form will be ...
... crystal habits of a hexagonal crystal. Although there may not be significant differences in the bioavailability of drugs with different crystal habits, the crystal habit is of importance from a technological point of view. The ability to inject a suspension containing a drug in crystal form will be ...
Oxidized and Reduced Azotobacter Vinelandii
... resolution data to be collected from protein crystals (20). At this resolution, the observation-to-parameter ratio allows refinement of the protein structure with anisotropic temperature factors and without the use of geometric restraints (21). This methodology can be applied to metalloproteins at s ...
... resolution data to be collected from protein crystals (20). At this resolution, the observation-to-parameter ratio allows refinement of the protein structure with anisotropic temperature factors and without the use of geometric restraints (21). This methodology can be applied to metalloproteins at s ...
Biochem. J. (2006) 395, 457–462
... nomenclature adapted from Davies et al. [26] with cleavage taking place between − 1 and + 1, and the β-fructofuranosyl unit undergoing catalysis placed at subsite − 1). For all six independent molecules within the asymmetric unit, the active sites and binding patterns are essentially the same and on ...
... nomenclature adapted from Davies et al. [26] with cleavage taking place between − 1 and + 1, and the β-fructofuranosyl unit undergoing catalysis placed at subsite − 1). For all six independent molecules within the asymmetric unit, the active sites and binding patterns are essentially the same and on ...
InChI keys as standard global identifiers in chemistry web services
... could be used in printed and electronic data sources thus enabling easier linking of diverse data compilations. The initial work focused on the development of algorithms for converting an input organic chemical structure to a unique (canonical) form. This, in effect, involves the unique numbering of ...
... could be used in printed and electronic data sources thus enabling easier linking of diverse data compilations. The initial work focused on the development of algorithms for converting an input organic chemical structure to a unique (canonical) form. This, in effect, involves the unique numbering of ...
Metallic and nonmetallic double perovskites: A case study of A $ _2
... Re atoms is 98% and 95% respectively for the Ba and Ca oxides, showing that the B-site disorder is not important for the present discussion. Larger amounts of B-site disorder have been shown to influence the properties [12]. The monoclinic distortion in the Cacompound is a clear manifestation of th ...
... Re atoms is 98% and 95% respectively for the Ba and Ca oxides, showing that the B-site disorder is not important for the present discussion. Larger amounts of B-site disorder have been shown to influence the properties [12]. The monoclinic distortion in the Cacompound is a clear manifestation of th ...
Infrared and Raman spectroscopic characterization of the hydrogen
... subject of numerous investigations, since most of the previously reported studies were carried out for the compound in the crystalline phase or in solution. Serine can exist in two enantiomeric modifications, L-serine and D-serine. At the monomer level, the two enantiomers are structurally and spect ...
... subject of numerous investigations, since most of the previously reported studies were carried out for the compound in the crystalline phase or in solution. Serine can exist in two enantiomeric modifications, L-serine and D-serine. At the monomer level, the two enantiomers are structurally and spect ...
Stabilization of Quinapril by Incorporating Hydrogen Bonding
... (S,S,S)-2-[2-{(1-ethoxycarbonyl)-3phenylpropyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydro3-isoquinoline carboxylic acid benzyl ester maleate salt (quinapril benzyl ester maleate salt) 25 g (0.0388 mol) was dissolved in a mixture of 125 ml water and 125 ml dichloromethane. The pH of the solution was adju ...
... (S,S,S)-2-[2-{(1-ethoxycarbonyl)-3phenylpropyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydro3-isoquinoline carboxylic acid benzyl ester maleate salt (quinapril benzyl ester maleate salt) 25 g (0.0388 mol) was dissolved in a mixture of 125 ml water and 125 ml dichloromethane. The pH of the solution was adju ...
`bis (L-glutamine) potassium nitrate` crystal
... name for example bis (L-glutamine) potassium nitrate [11], abbreviated by a strange code. L-glutamine is one of the twenty naturally occurring amino acids and is an amide of Lglutamic acid. The compound monosodium glutamate, which contains sodium and the monoanion of L-glutamic acid, is present in t ...
... name for example bis (L-glutamine) potassium nitrate [11], abbreviated by a strange code. L-glutamine is one of the twenty naturally occurring amino acids and is an amide of Lglutamic acid. The compound monosodium glutamate, which contains sodium and the monoanion of L-glutamic acid, is present in t ...
Crystal field effects in chromium and its partitioning in the mantle
... result, exists in a variety of oxidation states. Crystal field effects resulting from interactions of the bonded atoms with electrons in partially filled 3d orbitals of Cr not only lead to the spectacular variety of colors characteristic of Cr compounds, but also to important fractionation processes ...
... result, exists in a variety of oxidation states. Crystal field effects resulting from interactions of the bonded atoms with electrons in partially filled 3d orbitals of Cr not only lead to the spectacular variety of colors characteristic of Cr compounds, but also to important fractionation processes ...
complexes with bidentate N,N?-bis(b-phenylcinnamaldehyde)
... resulting from this intramolecular interaction is strongest for Cl followed by Br and I and to a greater extent for NCS coordinated to the metal atom. The 13C NMR spectrum of the free ligand exhibits 12 signals due to the fact that the two phenyl rings (exo and endo ) are in different position relat ...
... resulting from this intramolecular interaction is strongest for Cl followed by Br and I and to a greater extent for NCS coordinated to the metal atom. The 13C NMR spectrum of the free ligand exhibits 12 signals due to the fact that the two phenyl rings (exo and endo ) are in different position relat ...
Crystallographic database
A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals. Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules. They are characterized by symmetry, morphology, and directionally dependent physical properties. A crystal structure describes the arrangement of atoms, ions, or molecules in a crystal. (Molecules need to crystallize into solids so that their regularly repeating arrangements can be taken advantage of in X-ray, neutron, and electron diffraction based crystallography.)Crystal structures of crystalline material are typically determined from X-ray or neutron single-crystal diffraction data and stored in crystal structure databases. They are routinely identified by comparing reflection intensities and lattice spacings from X-ray powder diffraction data with entries in powder-diffraction fingerprinting databases.Crystal structures of nanometer sized crystalline samples can be determined via structure factor amplitude information from single-crystal electron diffraction data or structure factor amplitude and phase angle information from Fourier transforms of HRTEM images of crystallites. They are stored in crystal structure databases specializing in nanocrystals and can be identified by comparing zone axis subsets in lattice-fringe fingerprint plots with entries in a lattice-fringe fingerprinting database.Crystallographic databases differ in access and usage rights and offer varying degrees of search and analysis capacity. Many provide structure visualization capabilities. They can be browser based or installed locally. Newer versions are built on the relational database model and support the Crystallographic Information File (CIF) as a universal data exchange format.