On the refinement of time-resolved diffraction data: comparison of the random-distribution and cluster-formation models and analysis of the light-induced increase in the atomic displacement parameters.
Expressions for the random-distribution and cluster-formation models for light-induced changes in crystals studied by time-resolved diffraction are presented. The two models can be distinguished on the basis of differences in the predicted intensities. The light-induced increase in the atomic displacement parameters is analyzed with both simulated and experimental data sets.
Vorontsov
Ivan I
II
Department of Chemistry, State University of New York at Buffalo, NY 14260, USA.
Coppens
Philip
P
D000465:Algorithms; D016000:Cluster Analysis; D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D008027:Light; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D010777:Photochemistry / Q000379:methods; D011789:Quantum Theory; D013997:Time Factors; D014961:X-Ray Diffraction / Q000379:methods*