Charge Densities and Electrostatic Potentials for Energetic Materials

1995 ◽  
Vol 418 ◽  
Author(s):  
A. A. Pinkerton ◽  
A. Martin
Keyword(s):  
High Resolution ◽  
Low Temperature ◽  
Diffraction Data ◽  
Energetic Materials ◽  
X Ray Diffraction ◽  
X Ray ◽  
Charge Densities ◽  
Contour Maps ◽  
Deformation Density ◽  
Dinitramide Salts

AbstractHigh resolution (sinθ/λ < 1.34 Å−1), low temperature (85 K) X-ray diffraction data has been used to map the deformation density and the derived electrostatic potential for three dinitramide salts. The traditional presentation of contour maps has been replaced with 3D views of the molecule. A comparison of the dinitramide ions from each salt is presented.

Crystal structures of hydrofluorocarbons from powder X-ray diffraction data: HFC-134a and HFC-152a

2002 ◽  
Vol 217 (7-8) ◽  
Author(s):  
M. Brunelli ◽  
A. N. Fitch
Keyword(s):  
High Resolution ◽  
Low Temperature ◽  
Crystal Structures ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Melting Points ◽  
X Ray ◽  
Hfc 134A ◽  
Hfc 152A

AbstractHigh-resolution powder X-ray diffraction measurements have been used to determine the low-temperature crystal structures of the hydrofluorocarbons 1,1,1,2-tetrafluoroethane (HFC-134a) and 1,2-difluoroethane (HFC-152a). Below their melting points both compounds form body-centred-cubic orientationally-disordered phases with a = 5.7606(2) Å for HFC-134a and

D-67 High-Resolution X-ray Diffraction Data Analysis From The Partly Relaxed Semiconductor Structures

2009 ◽  
Vol 24 (2) ◽  
pp. 171-171
Author(s):  
A. Ulyanenkov ◽  
A. Benediktovitch ◽  
I. Feranchuk ◽  
B. He ◽  
H. Ress
Keyword(s):  
Data Analysis ◽  
High Resolution ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Semiconductor Structures

Revisit of α-Chitin Crystal Structure Using High Resolution X-ray Diffraction Data

2009 ◽  
Vol 10 (5) ◽  
pp. 1100-1105 ◽  
Author(s):  
Pawel Sikorski ◽  
Ritsuko Hori ◽  
Masahisa Wada
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray

High-resolution X-ray diffraction studies of the GaAs structures grown at a low temperature and periodically δ-doped with antimony and phosphorus

2009 ◽  
Vol 43 (8) ◽  
pp. 1078-1085 ◽  
Author(s):  
V. V. Chaldyshev ◽  
M. A. Yagovkina ◽  
M. V. Baidakova ◽  
V. V. Preobrazhenskii ◽  
M. A. Putyato ◽  
...  
Keyword(s):  
High Resolution ◽  
Low Temperature ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Neutron and high-resolution room-temperature X-ray data collection from crystallized lytic polysaccharide monooxygenase

2015 ◽  
Vol 71 (11) ◽  
pp. 1448-1452 ◽  
Author(s):  
John-Paul Bacik ◽  
Sophanit Mekasha ◽  
Zarah Forsberg ◽  
Andrey Kovalevsky ◽  
Jay C. Nix ◽  
...  
Keyword(s):  
High Resolution ◽  
Diffraction Data ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Lytic Polysaccharide Monooxygenase ◽  
Data Set ◽  
X Ray ◽  
Processing Enzymes ◽  
Bacteria And Fungi ◽  
Polysaccharide Monooxygenase

Bacteria and fungi express lytic polysaccharide monooxgyenase (LPMO) enzymes that act in conjunction with canonical hydrolytic sugar-processing enzymes to rapidly convert polysaccharides such as chitin, cellulose and starch to single monosaccharide products. In order to gain a better understanding of the structure and oxidative mechanism of these enzymes, large crystals (1–3 mm3) of a chitin-processing LPMO from the Gram-positive soil bacteriumJonesia denitrificanswere grown and screened for their ability to diffract neutrons. In addition to the collection of neutron diffraction data, which were processed to 2.1 Å resolution, a high-resolution room-temperature X-ray diffraction data set was collected and processed to 1.1 Å resolution in space groupP212121. To our knowledge, this work marks the first successful neutron crystallographic experiment on an LPMO. Joint X-ray/neutron refinement of the resulting data will reveal new details of the structure and mechanism of this recently discovered class of enzymes.

Characterizing the Image Forming Particles of Modern Ungilded Daguerreotypes Using XRD and SEM

2019 ◽  
Vol 25 (4) ◽  
pp. 1037-1051
Author(s):  
Patrick Ravines ◽  
Alexander Y. Nazarenko
Keyword(s):  
High Resolution ◽  
Diffraction Data ◽  
Regions Of Interest ◽  
X Ray Diffraction ◽  
Sem Images ◽  
Cubic Crystals ◽  
X Ray ◽  
Silver Amalgam ◽  
Crystalline Nature ◽  
Scanning Electron

AbstractX-ray diffraction (XRD) and high-resolution scanning electron microscopy (SEM) have been used to characterize the silver mercury amalgam particles resting on the surface that comprise the image of five daguerreotype plates that were not gilded and that were prepared by three different contemporary daguerreotype makers. The regions of interest of the surface that were examined were overexposed, solarized, and highlight (white) areas. The XRD portion of the study shows that the two main silver mercury amalgam particles identified using the International Center for Diffraction Data PF4 + database were the Schachnerite/ζ (zeta) phase amalgam, Ag1.1Hg0.9, and the mercury silver amalgam, Ag0.65Hg0.35. On one of the daguerreotypes a third silver mercury amalgam, Moschellandsbergite, Ag2Hg3, was also identified in small concentrations. High-resolution SEM images corroborate the diffraction data and show that the crystalline nature of the silver mercury amalgam particles on all five plates to be mostly hexagonal, which would correspond to the Schachnerite/ζ (zeta) phase amalgam, and fewer rectangular solid and cubic crystals corresponding to the mercury silver amalgam.

High-resolution X-ray diffraction study of the chromite (Mg0.60Fe0.402+)(Al0.39Cr1.50Fe0.093+)O4

1998 ◽  
Vol 13 (2) ◽  
pp. 96-99 ◽  
Author(s):  
T. R. C. Fernandes ◽  
J. I. Langford
Keyword(s):  
High Resolution ◽  
Diffraction Study ◽  
Diffraction Data ◽  
Cell Parameter ◽  
Incident Beam ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
X Ray ◽  
Figures Of Merit ◽  
Beam Focusing

As part of a study by high-resolution X-ray diffraction of chrome ores from the Great Dyke, Zimbabwe, powder data are reported for a well-crystallized ferroan magnesiochromite spinel, in which some Cr had been replaced by Al. Data were obtained by using CuKα1 radiation, with an incident beam focusing monochromator to eliminate the Kα2 component. The cell parameter is a0=8.3123(2) Å, the figures of merit are M17=383 and F17=182 (0.0055, 17) and the calculated density is 4.50(5) Mgm−3. A small amount of sample broadening was observed and this was attributed to a mean crystallite size of 259(1) nm. © 1997 International Center for Diffraction Data.

The crystal structure of phenyl hydrazine, C6H5 · NH · NH2

1968 ◽  
Vol 127 (5-6) ◽  
Author(s):  
S. Srinivasan ◽  
S. Swaminathan
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Phenyl Hydrazine ◽  
X Ray

AbstractX-ray diffraction data from phenyl hydrazine were collected on a Weissenberg Unicam S-35 adapted to low-temperature crystallography by SThe structure was solved in the (010) projection and the

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