Open AccessA non-empirical intermolecular force-field for trinitrobenzene and its application in crystal structure prediction
Author(s) -
Alex A. Aina,
Alston J. Misquitta,
Sarah L. Price
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0043746
Subject(s) - multipole expansion , chemistry , intermolecular force , force field (fiction) , isotropy , anisotropy , london dispersion force , molecular physics , statistical physics , computational chemistry , physics , molecule , quantum mechanics , van der waals force , organic chemistry
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom