Are crystal phase diagrams predictable with Force Field? Case of Benzene polymorphs
Detlef W.M. Hofmann,
Liudmila Kuleshova
Crystal Growth and Design, Volume 14, Number 4, page 3929--3934 - july 2014
Références BibTex
@Article{HK14,
author = {Hofmann, D. and Kuleshova, L.},
title = {Are crystal phase diagrams predictable with Force Field? Case of Benzene polymorphs},
journal = {Crystal Growth and Design},
number = {4},
volume = {14},
pages = {3929--3934},
month = {july},
year = {2014},
publisher = {pubs.ACS},
keywords = {Crystal Structures, Force Fields, Properties},
doi = {10.1021/cg500511p},
url = {https://publications.crs4.it/pubdocs/2014/HK14},
}
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