Reactive Molecular Dynamics at Constant Pressure via Nonreactive Force Fields: Extending the Empirical Valence Bond Method to the Isothermal-Isobaric Ensemble (2020)
Abstract
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Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.0c05461
PubMed Identifier: 32820921
Publication URI: http://europepmc.org/abstract/MED/32820921
Type: Journal Article/Review
Parent Publication: The Journal of Physical Chemistry A
Issue: 37
ISSN: 1089-5639