Reliable and practical computational description of molecular crystal polymorphs

Reliable prediction of the polymorphic energy landscape of a molecular crystal would yield profound insight into drug development in terms of the existence and likelihood of late-appearing polymorphs. However, the computational prediction of molecular crystal polymorphs is highly challenging due to...

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Detalles Bibliográficos
Autores principales: Hoja, Johannes, Ko, Hsin-Yu, Neumann, Marcus A., Car, Roberto, DiStasio, Robert A., Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2019
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6357866/
https://www.ncbi.nlm.nih.gov/pubmed/30746448
http://dx.doi.org/10.1126/sciadv.aau3338

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6357866/
https://www.ncbi.nlm.nih.gov/pubmed/30746448
http://dx.doi.org/10.1126/sciadv.aau3338

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