Heavy Water Models for Classical Molecular Dynamics: Effective Inclusion of Nuclear Quantum Effects.

Journal

The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530

Informations de publication

Date de publication:
06 05 2021
Historique:
pubmed: 28 4 2021
medline: 28 4 2021
entrez: 27 4 2021
Statut: ppublish

Résumé

Small differences in physical and chemical properties of H

Identifiants

DOI: 10.1021/acs.jpcb.1c02235 PMID: 33904303
pubmed: 33904303
doi: 10.1021/acs.jpcb.1c02235
doi:

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

4514-4519

Auteurs

Victor Cruces Chamorro (VC)

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 542/2, 160 00 Prague 6, Czech Republic.

Carmelo Tempra (C)

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 542/2, 160 00 Prague 6, Czech Republic.
ORCID: 0000-0002-2890-6993

Pavel Jungwirth (P)

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 542/2, 160 00 Prague 6, Czech Republic.
ORCID: 0000-0002-6892-3288

Classifications MeSH