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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

Parent Publication: The Journal of Physical Chemistry B

Issue: 40

ISSN: 1520-5207