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Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection

Lookup NU author(s): Dr Daniel ColeORCiD



This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License (CC BY-NC 4.0).

Publication metadata

Author(s): Allen AEA, Payne MC, Cole DJ

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Theory and Computation

Year: 2018

Volume: 14

Issue: 1

Pages: 274-281

Print publication date: 09/01/2018

Online publication date: 21/11/2017

Acceptance date: 21/11/2017

Date deposited: 22/11/2017

ISSN (print): 1549-9618

ISSN (electronic): 1549-9626

Publisher: ACS Publications


DOI: 10.1021/acs.jctc.7b00785


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