Application of simulated annealing approach for structure solution of molecular crystals from X-ray laboratory powder data

Authors
Zhukov, SG Chernyshev, VV Babaev, EV Sonneveld, EJ Schenk, H
Citation
Sg. Zhukov et al., Application of simulated annealing approach for structure solution of molecular crystals from X-ray laboratory powder data, Z KRISTALL, 216(1), 2001, pp. 5-9
Citations number
30
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
216
Issue
1
Year of publication
2001
Pages
5 - 9
Database
ISI
SICI code
0044-2968(2001)216:1<5:AOSAAF>2.0.ZU;2-W
Abstract
Simulated annealing approach was successfully applied to solve three unknow n molecular structures from X-ray laboratory powder data using a priory kno wn structural fragments. Some possible developments of the method are discu ssed.