Results 51 to 60 of about 191,600 (185)

Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

Journal of Spectroscopy, 2013
In the present work, metal (Cu2+)-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies.
R. S. Sreenivasan, N. Kanagathara, G. Ezhamani, N. G. Renganathan, G. Anbalagan   +4 more
doaj   +1 more source

Single crystal x-ray diffraction studies on small, medium and large molecules [PDF]

, 1996
Chapter 1. Production of crystals for diffraction analysis would be assisted by the devising of a set of rules which, given molecular formula, could predict crystal formation conditions.
Butterworth, Susanna
core  

Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData, 2019
Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data.
Artem V. Malin, Sergei I. Ivlev, Roman V. Ostvald, Florian Kraus   +3 more
doaj   +1 more source

Residual stress evolution analysis in AZ31 friction stir welds using X-Ray and neutron diffraction [PDF]

, 2009
This work was performed as a part of AEROMAG Project"Aeronautica lApplication of Wrought Magnesium" (project N°AST4-CT-2005 -516152) which was supported by the European Union.The authors wish to thank EADS-I W F, Suresnes for Friction Stir Welding,Robert
COMMIN, Loreleï, MASSE, Jean-Eric, BARRALLIER, Laurent   +2 more
core  

A comparative study of the crystal structures of 2-(4-(2-(4-(3-chlorophenyl)pipera -zinyl)ethyl) benzyl)isoindoline-1,3-dione by synchrotron radiation X-ray powder diffraction and single-crystal X-ray diffraction

Open Chemistry, 2019
The crystal structures of the title compound, C27H26ClN3O2, were established by single-crystal X-ray diffraction and synchrotron radiation X-ray powder diffraction.
Zhou Jin-Hui, Shi Mao-Jian, Ding Lin, ShangGuan Guo-Qiang, Xu Jun   +4 more
doaj   +1 more source

Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin

Química Nova, 2012
Friedelin molecular conformers were obtained by Density Functional Theory (DFT) and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair, are ...
Djalma Menezes de Oliveira, Wagner da Nova Mussel, Lucienir Pains Duarte, Grácia Divina de Fátima Silva, Hélio Anderson Duarte, Elionai Cassiana de Lima Gomes, Luciana Guimarães, Sidney A. Vieira Filho   +7 more
doaj   +1 more source

Ab initio structure determination from X-ray powder diffraction data

, 2015
Many important crystalline solids cannot be prepared in the form of single crystals of sufficient size and quality for single crystal X-ray diffraction studies, and in such cases it is essential that structural information can be extracted from powder ...
Tremayne, Maryjane
core  

Characterization of defect structures in nanocrystalline materials by X-ray line profile analysis [PDF]

, 2007
X-ray line profile analysis is a powerful alternative tool for determining dislocation densities, dislocation type, crystallite and subgrain size and size-distributions, and planar defects, especially the frequency of twin boundaries and stacking faults.
Tamás Ungár, Gubicza, Jenő, Jenõ Gubicza, Ungár, Tamás   +3 more
core   +1 more source

Mechanochemical Synthesis, Spectroscopic Characterization and Molecular Structure of Piperidine–Phenytoin Salt

Organics
Phenytoin is an anticonvulsant drug that suffers from low aqueous solubility. The formation of phenytoin salts is a strategy employed to address this issue.
María Isabel Amil-Miranda, Armando Pineda-Contreras, Francisco Javier Martínez-Martínez, Marcos Flores-Álamo, Hector García-Ortega, Juan Saulo González-González   +5 more
doaj   +1 more source

Efficient methods of X-ray diffraction pattern inversion

Results in Physics, 2019
An innovative, computational approach to the problem of X-ray diffraction pattern inversion is presented. The technique approximates the electron density of the trial structures encountered during the structure-fitting part of the inversion process with ...
Ian Gregory Shuttleworth
doaj   +1 more source