Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model

Published 2018 View Full Article

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Title
Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 4, Pages 2207-2218
Publisher
American Chemical Society (ACS)
Online
2018-03-16
DOI
10.1021/acs.jctc.7b01266

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