Contemporary advances in the use of powder X‐ray diffraction for structure determination

KDM Harris, M Tremayne… - Angewandte Chemie …, 2001‏ - Wiley Online Library
Many crystalline solids cannot be prepared in the form of single crystals of sufficient size
and/or quality for investigation using single‐crystal X‐ray diffraction techniques, and the …

Bimetallic nanoalloy catalysts for green energy production: advances in synthesis routes and characterization techniques

S Ashraf, Y Liu, H Wei, R Shen, H Zhang, X Wu… - Small, 2023‏ - Wiley Online Library
Bimetallic Nanoalloy catalysts have diverse uses in clean energy, sensing, catalysis,
biomedicine, and energy storage, with some supported and unsupported catalysts …

[کتاب][B] Structure determination from powder diffraction data

WIF David, K Shankland, LB McCusker, C Baerlocher - 2006‏ - books.google.com
The art of solving a structure from powder diffraction data has developed rapidly over the last
ten years to the point where numerous crystal structures, both organic and inorganic, have …

Inorganic ion exchangers, past, present, and future

A Clearfield - Solvent extraction and ion exchange, 2000‏ - Taylor & Francis
The search for inorganic ion exchangers that would be stable to ionizing radiation and
elevated temperatures began with the advent of nuclear technology in the 1940's. Research …

Structure Determination of Homoleptic AuI, AgI, and CuI Aryl/Alkylethynyl Coordination Polymers by X‐ray Powder Diffraction

SSY Chui, MFY Ng, CM Che - Chemistry–A European Journal, 2005‏ - Wiley Online Library
This article describes the structure determination of five homoleptic d10 metal–
aryl/alkylacetylides [RC CM](M= Cu, R= tBu 1, nPr 2, Ph 3; R= Ph, M= Ag 4; Au 5) by using …

Ab-Initio XRPD Crystal Structure and Giant Hysteretic Effect (Hc = 5.9 T) of a New Hybrid Terephthalate-Based Cobalt(II) Magnet

ZL Huang, M Drillon, N Masciocchi, A Sironi… - Chemistry of …, 2000‏ - ACS Publications
A new terephthalate-based cobalt hydroxide, Co2 (OH) 2 (C8H4O4), was synthesized by the
hydrothermal method. Its crystal structure has been determined by ab-initio XRPD methods …

A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure …

CJH Smalley, HE Hoskyns, CE Hughes… - Chemical …, 2022‏ - pubs.rsc.org
We report the crystal structure of a new polymorph of L-tyrosine (denoted the β polymorph),
prepared by crystallization from the gas phase following vacuum sublimation. Structure …

The genetic algorithm: foundations and apllications in structure solution from powder diffraction data

KDM Harris, RL Johnston… - … Section A: Foundations of …, 1998‏ - journals.iucr.org
Recently, new methods based on the use of genetic algorithms have been explored and
developed for solving crystal structures directly from powder diffraction data. In implementing …

How to determine structures when single crystals cannot be grown: opportunities for structure determination of molecular materials using powder diffraction data

KDM Harris, EY Cheung - Chemical Society Reviews, 2004‏ - pubs.rsc.org
Many crystalline solids cannot be prepared as single crystals of sufficient size and/or quality
for structure determination to be carried out using single crystal X-ray diffraction techniques …

Routine determination of molecular crystal structures from powder diffraction data

WIF David - Chemical Communications, 1998‏ - pubs.rsc.org
The state of the art in determining molecular crystal structures from powder diffraction data
using a global optimisation method is illustrated with a fast, automated simulated annealing …