Application of simulated annealing approach for structure solution of molecular crystals from X-ray laboratory powder data
Zhukov SG, Chernyshev VV, Babaev EV, Sonneveld EJ, Schenk H
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
216 (1): 5-9 2001
Abstract:
Simulated annealing approach was successfully applied to solve three unknown molecular structures from X-ray laboratory powder data using a priory known structural fragments. Some possible developments of the method are discussed.