An Empirically Optimized Classical Force-Field for Molecular Simulations of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitrotoluene (DNT)
Author:
Affiliation:
1. LEPMI(LMOPS), UMR 5279 CNRS-University of Savoie-Grenoble INP-University J. Fourier, Bât. IUT, Savoie Technolac, 73376 Le Bourget du Lac Cedex, France
2. CEA, DAM, Le Ripault, 37260 Monts, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp305362n
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