Behavior of Occupied and Void Space in Molecular Crystal Structures at High Pressure

[Image: see text] We report a Monte Carlo algorithm for calculation of occupied (“network”) and unoccupied (“void”) space in crystal structures. The variation of the volumes of the voids and the network of intermolecular contacts with pressure sensitively reveals discontinuities associated with firs...

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Detalles Bibliográficos
Autores principales: Wilson, Cameron J. G., Cervenka, Tomas, Wood, Peter A., Parsons, Simon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9007411/
https://www.ncbi.nlm.nih.gov/pubmed/35431662
http://dx.doi.org/10.1021/acs.cgd.1c01427

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9007411/
https://www.ncbi.nlm.nih.gov/pubmed/35431662
http://dx.doi.org/10.1021/acs.cgd.1c01427

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