Combining a Dissociative Water Model with a Hybrid QM/MM Approach—A Simulation Strategy for the Study of Proton Transfer Reactions in Solution

Published 2012 View Full Article

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Title
Combining a Dissociative Water Model with a Hybrid QM/MM Approach—A Simulation Strategy for the Study of Proton Transfer Reactions in Solution
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 8, Issue 10, Pages 3586-3595
Publisher
American Chemical Society (ACS)
Online
2012-03-30
DOI
10.1021/ct300062k

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