Generation of crystal structures using known crystal structures as analogues

This analysis attempts to answer the question of whether similar molecules crystallize in a similar manner. An analysis of structures in the Cambridge Structural Database shows that the answer is yes – sometimes they do, particularly for single-component structures. However, one does need to define...

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Dades bibliogràfiques
Publicat a:Acta Crystallogr B Struct Sci Cryst Eng Mater
Autors principals: Cole, Jason C., Groom, Colin R., Read, Murray G., Giangreco, Ilenia, McCabe, Patrick, Reilly, Anthony M., Shields, Gregory P.
Format: Artigo
Idioma:Inglês
Publicat: International Union of Crystallography 2016
Matèries:
Crystal Structure Prediction
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4971547/
https://ncbi.nlm.nih.gov/pubmed/27484374
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052520616006533
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