Open AccessApplication of Quantum Chemical Topology Force Field FFLUX to Condensed Matter Simulations: Liquid Water
Author(s) -
Benjamin C. B. Symons,
Paul L. A. Popelier
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.2c00311
Subject(s) - force field (fiction) , multipole expansion , ab initio , topology (electrical circuits) , polarizability , physics , statistical physics , computer science , quantum mechanics , mathematics , combinatorics , molecule
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