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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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Pubblicato in:IUCrJ
Autore principale: Dittrich, Birger
Natura: Artigo
Lingua:Inglês
Pubblicazione: International Union of Crystallography 2021
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7924241/
https://ncbi.nlm.nih.gov/pubmed/33708406
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252521000531
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