Development and application of ab initio QM/MM methods for mechanistic simulation of reactions in solution and in enzymes

Published 2008 View Full Article

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Title
Development and application of ab initio QM/MM methods for mechanistic simulation of reactions in solution and in enzymes
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 898, Issue 1-3, Pages 17-30
Publisher
Elsevier BV
Online
2008-12-28
DOI
10.1016/j.theochem.2008.12.025

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