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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |