Reactive Molecular Dynamics at Constant Pressure via Nonreactive Force Fields: Extending the Empirical Valence Bond Method to the Isothermal-Isobaric Ensemble. (2020)
Attributed to:
Developing DL_POLY Molecular Dynamics Simulation code to tackle challenging problems in science and technology
funded by
EPSRC
Abstract
No abstract provided
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
Volume: 124
Parent Publication: The journal of physical chemistry. A
Issue: 37
ISSN: 1089-5639