
STRUCTURAL ANALYSIS OF
... Overall comparative analysis of mutant structures with the high resolution native ECP complexes ............................................................................................131 4.2.3. Native ECP crystals at high resolution........................................................... ...
... Overall comparative analysis of mutant structures with the high resolution native ECP complexes ............................................................................................131 4.2.3. Native ECP crystals at high resolution........................................................... ...
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... amounts of zinc acetate and/or acetic acid that were present from the neutralization step in the preparation of the ionomer. Two-dimensional X-ray diffraction patterns for the blends revealed that chain-packing within nanoparticles was different than that of the LCP or the homopolymers prepared from ...
... amounts of zinc acetate and/or acetic acid that were present from the neutralization step in the preparation of the ionomer. Two-dimensional X-ray diffraction patterns for the blends revealed that chain-packing within nanoparticles was different than that of the LCP or the homopolymers prepared from ...
Effect of barium doping on the physical properties of zinc oxide
... (NPs) has led to significant theoretical and technological progresses since 2004 [2]. Chemical reactions involving zinc compounds in aqueous solutions are able to produce ZnO powders [3]. Under ultrasonic irradiation, sonochemical reactions result in ZnO with morphologies different from that synthesi ...
... (NPs) has led to significant theoretical and technological progresses since 2004 [2]. Chemical reactions involving zinc compounds in aqueous solutions are able to produce ZnO powders [3]. Under ultrasonic irradiation, sonochemical reactions result in ZnO with morphologies different from that synthesi ...
Phase Transitions of Amorphous Solid Acetone in Confined
... reorientation of acetone molecules upon sample heating. RAIRS preferentially detects the vibrations that induce dipole changes in the direction of p-polarization of the light, or perpendicular to the metal substrate surface. Accordingly, if the reorientation of acetone molecules occurs collectively, ...
... reorientation of acetone molecules upon sample heating. RAIRS preferentially detects the vibrations that induce dipole changes in the direction of p-polarization of the light, or perpendicular to the metal substrate surface. Accordingly, if the reorientation of acetone molecules occurs collectively, ...
systematics and crystal genesis of carbonate minerals
... crystal growth in geological setting under different conditions of crystallization. The structural anisometricity may conveniently be presented by the c/a ratio of the minerals with high symmetry and by the 2c/(a+b), 2b/(a+c) and 2a/(b+c) ratios for the low symmetry minerals. The respective ratios a ...
... crystal growth in geological setting under different conditions of crystallization. The structural anisometricity may conveniently be presented by the c/a ratio of the minerals with high symmetry and by the 2c/(a+b), 2b/(a+c) and 2a/(b+c) ratios for the low symmetry minerals. The respective ratios a ...
Chemical bath deposition and electrodeposition of
... Figure 1.8. Setup used to acquire X-ray pole figure (left) and the resulting pole figures for a (0001) oriented zinc oxide film (right, upper) deposited on Au(110) single crystalline substrate and its correspondent substrate pole figure (right, lower). ............................................... ...
... Figure 1.8. Setup used to acquire X-ray pole figure (left) and the resulting pole figures for a (0001) oriented zinc oxide film (right, upper) deposited on Au(110) single crystalline substrate and its correspondent substrate pole figure (right, lower). ............................................... ...
Synthesis and characterization of nanostructured CeO with dyes
... seen from Fig. 6, the band gap energy of the CeO2 was found to be about 3.1 eV. One of the main applications of metal oxide-based nanomaterial in the field of environmental protection and remediation is for the removal of synthetic dye pollutants. In this study, to evaluate the property of the nanos ...
... seen from Fig. 6, the band gap energy of the CeO2 was found to be about 3.1 eV. One of the main applications of metal oxide-based nanomaterial in the field of environmental protection and remediation is for the removal of synthetic dye pollutants. In this study, to evaluate the property of the nanos ...
Polarization Switching and Fatigue Anisotropy in RElaxor
... anisotropy was investigated also in several other ferroelectric systems including both relaxor based and normal ferroelectrics. Normal ferroelectric BaTiO3 and its solid solutions with BaZrO3 did not exhibit fatigue anisotropy in the rhombohedral phase in [001]C orientations. From these studies it s ...
... anisotropy was investigated also in several other ferroelectric systems including both relaxor based and normal ferroelectrics. Normal ferroelectric BaTiO3 and its solid solutions with BaZrO3 did not exhibit fatigue anisotropy in the rhombohedral phase in [001]C orientations. From these studies it s ...
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... Because of their light weight, alkali and alkaline earth metals are typically used for hydrogen storage applications. In these compounds, due to the larger electronegativity of hydrogen, the metal–hydrogen bond is considered to be ionic in nature. The interaction in other types of simple metal hydri ...
... Because of their light weight, alkali and alkaline earth metals are typically used for hydrogen storage applications. In these compounds, due to the larger electronegativity of hydrogen, the metal–hydrogen bond is considered to be ionic in nature. The interaction in other types of simple metal hydri ...
The Impact of Ligand Design on the Coordination Chemistry and
... Second, for carbonylrhodium(I) complexes, (NNN)Rh(CO), substitution at the para-aryl positions predictably modulates the electronic properties and chemical reactivity. Oxidative addition reactions of the (NNN)Rh(CO) with iodoalkanes proceed about three orders of magnitude faster than those reported ...
... Second, for carbonylrhodium(I) complexes, (NNN)Rh(CO), substitution at the para-aryl positions predictably modulates the electronic properties and chemical reactivity. Oxidative addition reactions of the (NNN)Rh(CO) with iodoalkanes proceed about three orders of magnitude faster than those reported ...
Polymorph Characterization of Active Pharmaceutical
... forces between the molecules. Important intermolecular forces in solid-state aromatic APIs include hydrogen bonding and pp stacking interactions between aromatic rings. The corresponding spectral features are influenced by the crystal-packing arrangements and are unique to both the molecule and its ...
... forces between the molecules. Important intermolecular forces in solid-state aromatic APIs include hydrogen bonding and pp stacking interactions between aromatic rings. The corresponding spectral features are influenced by the crystal-packing arrangements and are unique to both the molecule and its ...
187457_187457 - [email protected]
... LiZn(BH4)3·2NH3 composition, the additional Li atom and BH4 group can not fit into the indexed monoclinic unit cell with overestimated density. In addition, if the final product is the formation of LiZn(BH4)3·2NH3, ZnCl2·2NH3 would be excessive. However, form the XRD results, no ZnCl2.2NH3 can be id ...
... LiZn(BH4)3·2NH3 composition, the additional Li atom and BH4 group can not fit into the indexed monoclinic unit cell with overestimated density. In addition, if the final product is the formation of LiZn(BH4)3·2NH3, ZnCl2·2NH3 would be excessive. However, form the XRD results, no ZnCl2.2NH3 can be id ...
Copyright 2010 Scott R
... Na(H3BNMe2BH3), in tetrahydrofuran produces the new complex Th(H3BNMe2BH3)4. The thorium center forms bonds with fifteen hydrogen atoms; accordingly, this is the first example of a fifteen-coordinate atom of any kind. As determined by both single crystal X-ray and single crystal neutron diffraction ...
... Na(H3BNMe2BH3), in tetrahydrofuran produces the new complex Th(H3BNMe2BH3)4. The thorium center forms bonds with fifteen hydrogen atoms; accordingly, this is the first example of a fifteen-coordinate atom of any kind. As determined by both single crystal X-ray and single crystal neutron diffraction ...
Aluminum Borohydride Complex with
... problem of undesired B2H6 gas generation during decomposition. On the other hand, complexes combined with ammonia borane (AB) and metal borohydride ammoniates (MBAs) have been developed. One of the fascinating strategies in the development of these compounds is trying to formulate the borohydrides w ...
... problem of undesired B2H6 gas generation during decomposition. On the other hand, complexes combined with ammonia borane (AB) and metal borohydride ammoniates (MBAs) have been developed. One of the fascinating strategies in the development of these compounds is trying to formulate the borohydrides w ...
Read the Nobel Lecture
... electroluminescent material, because of its excessively large Eg of about 6.2 eV. In the meantime (in 1969), H. P. Maruska and J. J. Tietjen successfully grew single-crystal GaN films on sapphire substrates using hydride vapor phase epitaxy (HVPE) and found that GaN is a direct bandgap semiconductor ...
... electroluminescent material, because of its excessively large Eg of about 6.2 eV. In the meantime (in 1969), H. P. Maruska and J. J. Tietjen successfully grew single-crystal GaN films on sapphire substrates using hydride vapor phase epitaxy (HVPE) and found that GaN is a direct bandgap semiconductor ...
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... whereas the N- and C-terminal segments were still disordered. Densities for the FsPP were clear, and a geranyl fragment was also observed in the tunnel. Those for the IPP molecule were weak and can only be modeled as a phosphate ion. Subsequent refinement with incorporation of a Mg2⫹(H2O)3 ion and 3 ...
... whereas the N- and C-terminal segments were still disordered. Densities for the FsPP were clear, and a geranyl fragment was also observed in the tunnel. Those for the IPP molecule were weak and can only be modeled as a phosphate ion. Subsequent refinement with incorporation of a Mg2⫹(H2O)3 ion and 3 ...
High-Electron-Mobility SiGe on sapphire substrate for fast
... giga Herz level by increasing line resolution of micro-circuit. Time and time again, critics have claimed that there will soon come to an end to shrink silicon transistors to smaller dimensions. Also, further speed enhancement faces intrinsic limit by the material properties, such as electron charge ...
... giga Herz level by increasing line resolution of micro-circuit. Time and time again, critics have claimed that there will soon come to an end to shrink silicon transistors to smaller dimensions. Also, further speed enhancement faces intrinsic limit by the material properties, such as electron charge ...
- University of Bath Opus
... 1.3 Aims and Objections of the PhD project......................................................15 1.4 Organisation of the rest of the thesis ..........................................................17 2. Design and Simulation of the One Dimensional Photonic Crystal Microcavity Structures ......... ...
... 1.3 Aims and Objections of the PhD project......................................................15 1.4 Organisation of the rest of the thesis ..........................................................17 2. Design and Simulation of the One Dimensional Photonic Crystal Microcavity Structures ......... ...
Linear Trichromium Complexes with Direct Cr to
... Crystallographic Procedures Data for all compounds were collected on a Nonius FAST diffractometer at -60 °C. In each case, a suitable crystal was attached to the tip of a quartz fiber with a small amount of silicone grease. Unit-cell dimensions for all crystals were obtained from an auto-indexing ro ...
... Crystallographic Procedures Data for all compounds were collected on a Nonius FAST diffractometer at -60 °C. In each case, a suitable crystal was attached to the tip of a quartz fiber with a small amount of silicone grease. Unit-cell dimensions for all crystals were obtained from an auto-indexing ro ...
Chapter 5 - Rocklin High School
... All minerals in Earth’s crust have a crystalline structure. Each type of mineral crystal is characterized by a specific geometric arrangement of atoms. A crystal is a solid whose atoms, ions, or molecules are arranged in a regular, repeating pattern. A large mineral crystal displays the characterist ...
... All minerals in Earth’s crust have a crystalline structure. Each type of mineral crystal is characterized by a specific geometric arrangement of atoms. A crystal is a solid whose atoms, ions, or molecules are arranged in a regular, repeating pattern. A large mineral crystal displays the characterist ...
Intermetallic Magnesium Compounds RE2 Ni Mg (RE = Gd, Dy–Tm
... behavior for use as hydrogen storage materials [2, and refs. cited therein]. Since the density of the respective materials is a limiting factor, the RE-T -Mg systems with the lighter and also cheeper 3d metals have preferably been studied with respect to potential applications. Complete or partial p ...
... behavior for use as hydrogen storage materials [2, and refs. cited therein]. Since the density of the respective materials is a limiting factor, the RE-T -Mg systems with the lighter and also cheeper 3d metals have preferably been studied with respect to potential applications. Complete or partial p ...
aragonite - Celestial Earth Minerals
... Among the diagnostic properties of most carbonate minerals is a rapid reaction with acids, notably hydrochloric acid (HCl), to produce a visible effervescence. When contacted by hydrochloric acid, aragonite will effervesce as its carbonate radicals are replaced by the acid’s highly reactive chlorin ...
... Among the diagnostic properties of most carbonate minerals is a rapid reaction with acids, notably hydrochloric acid (HCl), to produce a visible effervescence. When contacted by hydrochloric acid, aragonite will effervesce as its carbonate radicals are replaced by the acid’s highly reactive chlorin ...
Heterogeneous Nanonucleants - Manuscript - FINAL
... The two-step nucleation model differs fundamentally from the CNT in that solution molecules are not assumed to exchange directly with a cluster. Instead, first an intermediate dense liquid droplet is formed, followed by nucleation of an ordered crystalline structure [17]. At sufficiently high supers ...
... The two-step nucleation model differs fundamentally from the CNT in that solution molecules are not assumed to exchange directly with a cluster. Instead, first an intermediate dense liquid droplet is formed, followed by nucleation of an ordered crystalline structure [17]. At sufficiently high supers ...
THE USE OF SPECTROSCOPIC AND DIFFRACTOMETRIC TECHNIQUES IN THE
... Ca5(PO4)3(OH) that build the unit cell in a crystal. This means that the natural bioapatite crystal may be envisaged as an ordered arrangement of such unit cell repeated periodically along the three orthogonal spatial directions. Biological apatites of bones are made by tiny microcrystals of apatite ...
... Ca5(PO4)3(OH) that build the unit cell in a crystal. This means that the natural bioapatite crystal may be envisaged as an ordered arrangement of such unit cell repeated periodically along the three orthogonal spatial directions. Biological apatites of bones are made by tiny microcrystals of apatite ...
Zeolite inclusion chemistry. Clusters, quantum dots, and polymers.
... metals and six alternating oxygens arranged much like a crown ether), double-six-rings (D6R) and complex 5-1 structures. Other important structural units are the "sodalite cage" (a truncated octahedron) and the "supercage" (a unit with 12.5 A internal diameter). These units are then joined to form o ...
... metals and six alternating oxygens arranged much like a crown ether), double-six-rings (D6R) and complex 5-1 structures. Other important structural units are the "sodalite cage" (a truncated octahedron) and the "supercage" (a unit with 12.5 A internal diameter). These units are then joined to form o ...
X-ray crystallography

X-ray crystallography is a tool used for identifying the atomic and molecular structure of a crystal, in which the crystalline atoms cause a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their disorder and various other information.Since many materials can form crystals—such as salts, metals, minerals, semiconductors, as well as various inorganic, organic and biological molecules—X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences among various materials, especially minerals and alloys. The method also revealed the structure and function of many biological molecules, including vitamins, drugs, proteins and nucleic acids such as DNA. X-ray crystallography is still the chief method for characterizing the atomic structure of new materials and in discerning materials that appear similar by other experiments. X-ray crystal structures can also account for unusual electronic or elastic properties of a material, shed light on chemical interactions and processes, or serve as the basis for designing pharmaceuticals against diseases.In a single-crystal X-ray diffraction measurement, a crystal is mounted on a goniometer. The goniometer is used to position the crystal at selected orientations. The crystal is bombarded with a finely focused monochromatic beam of X-rays, producing a diffraction pattern of regularly spaced spots known as reflections. The two-dimensional images taken at different rotations are converted into a three-dimensional model of the density of electrons within the crystal using the mathematical method of Fourier transforms, combined with chemical data known for the sample. Poor resolution (fuzziness) or even errors may result if the crystals are too small, or not uniform enough in their internal makeup.X-ray crystallography is related to several other methods for determining atomic structures. Similar diffraction patterns can be produced by scattering electrons or neutrons, which are likewise interpreted by Fourier transformation. If single crystals of sufficient size cannot be obtained, various other X-ray methods can be applied to obtain less detailed information; such methods include fiber diffraction, powder diffraction and (if the sample is not crystallized) small-angle X-ray scattering (SAXS).If the material under investigation is only available in the form of nanocrystalline powders or suffers from poor crystallinity, the methods of electron crystallography can be applied for determining the atomic structure.For all above mentioned X-ray diffraction methods, the scattering is elastic; the scattered X-rays have the same wavelength as the incoming X-ray. By contrast, inelastic X-ray scattering methods are useful in studying excitations of the sample, rather than the distribution of its atoms.