On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder
Distinguishing disorder into static and dynamic based on multi-temperature X-ray or neutron diffraction experiments is the current state of the art, but is only descriptive, not predictive. Here, several disordered structures are revisited from the Cambridge Crystallographic Data Center `drug subset...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2021-03-01
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| Series: | IUCrJ |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2052252521000531 |