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Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection. (2018)

First Author: Allen AEA

Attributed to: Theory of Condensed Matter Group, Cambridge - Critical Mass Grant funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.7b00785

PubMed Identifier: 29161029

Publication URI: http://europepmc.org/abstract/MED/29161029

Type: Journal Article/Review

Volume: 14

Parent Publication: Journal of chemical theory and computation

Issue: 1

ISSN: 1549-9618