Tests of an adaptive QM/MM calculation on free energy profiles of chemical reactions in solution. (2013)

First Author: Várnai C
Attributed to:  Adaptive QM/MM simulations funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/jp405974b

PubMed Identifier: 24033146

Publication URI: http://europepmc.org/abstract/MED/24033146

Type: Journal Article/Review

Volume: 117

Parent Publication: The journal of physical chemistry. B

Issue: 40

ISSN: 1520-5207