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Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields. (2024)

First Author: Behara PK

Attributed to: Next generation atomistic modelling for medicinal chemistry and biology funded by UKRI FLF

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpcb.4c03167

PubMed Identifier: 39087913

Publication URI: http://europepmc.org/abstract/MED/39087913

Type: Journal Article/Review

Volume: 128

Parent Publication: The journal of physical chemistry. B

Issue: 32

ISSN: 1520-5207