Results 21 to 30 of about 1,062,373 (285)

Automated multiphase identification and refinement in powder diffraction using mismatch-tolerant machine learning [PDF]

APL Machine Learning
Powder diffraction is a primary structural characterization tool in materials science, yet automated phase identification remains a major bottleneck for autonomous discovery.
Lalit Yadav, Yongqiang Cheng, Mathieu Doucet   +2 more
doaj   +1 more source

Methylergometrine maleate from synchrotron powder diffraction data

Acta Crystallographica Section E, 2009
The title compound {systematic name: 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-d-lysergamide maleate}, C20H26N3O2+·C4H3O4−, contains a large rigid ergolene group.
Alexandr Jegorov, Bohumil Kratochvíl, Jan Rohlíček, Michal Hušák   +3 more
doaj   +1 more source

Synchrotron X-ray powder diffraction data of atorvastatin

, 2008
X-ray powder diffraction data collected in transmission and high-throughput geometries were used to analyze form I of atorvastatin. The X-ray wavelength of the synchrotron radiation used in this study was determined to be lambda = 1.3771 angstrom. Form I
Pires Rosa, Paulo Cesar, Antonio, Selma Gutierrez [UNESP], Paiva-Santos, Carlos de Oliveira, Ferreira, Fabio Furlan, Benini, Fernanda Ribeiro [UNESP], Benini, Fernanda Ribeiro, Antonio, Selma Gutierrez, Paiva-Santos, Carlos de Oliveira [UNESP]   +7 more
core   +2 more sources

X-ray characterization by energy-resolved powder diffraction

Physical Review Accelerators and Beams, 2016
A method for single-shot, nondestructive characterization of broadband x-ray beams, based on energy-resolved powder diffraction, is described. Monte-Carlo simulations are used to simulate data for x-ray beams in the keV range with parameters similar to ...
G. Cheung, S. M. Hooker
doaj   +1 more source

Tetraammine(carbonato-κ2O,O′)cobalt(III) nitrate: a powder X-ray diffraction study

Acta Crystallographica Section E, 2013
Practical chemistry courses at universities very frequently propose the synthesis and characterization of [Co(CO3)(NH3)4]NO3, but this goal is never achieved since students only obtain the hemihydrated form.
Armel Le Bail
doaj   +1 more source

Acemetacin cocrystal structures by powder X-ray diffraction

IUCrJ, 2017
Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray ...
Geetha Bolla, Vladimir Chernyshev, Ashwini Nangia   +2 more
doaj   +1 more source

Complex Hydrides – When Powder Diffraction needs Help

CHIMIA, 2014
'Real life' energy-related materials such as solid-state hydrogen storage compounds or components of electrochemical cells are usually polycrystalline, poorly crystallized, highly reactive and dynamic systems.
Pascal Schouwink, Radovan Černý
doaj   +1 more source

10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data

Acta Crystallographica Section E, 2010
The title compound [systematic name: 10-methylbenzo[g]pteridine-2,4(3H,10H)-dione 5-oxide], C11H8N4O3, consists of a large rigid isoalloxazine group which is approximately planar (r.m.s. deviation = 0.037 Å).
Michal Hušák, Jaroslav Maixner, Jan Rohlíček, Jana Cibulková, Radek Cibulka   +4 more
doaj   +1 more source

Crystal Structure of 17α-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory

Crystals, 2017
The crystal structure of 17α-dihydroequilin has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. 17α-dihydroequilin crystallizes in space group P212121 (#19) with a = 6.76849(1) Å,
James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton   +2 more
doaj   +1 more source

Synthesis of Vanadium-Vanadium Carbide in-situ nanocomposites by high energy ball milling and spark plasma sintering [PDF]

Science of Sintering, 2016
In the present work, Vanadium-Vanadium Carbide (V-V2C) in-situ nanocomposites were synthesized by mechanically milling vanadium powders with 0.5 wt.% stearic acid.
Krishnan Vinoadh Kumar, Sinnaeruvadi Kumaran   +1 more
doaj   +1 more source