A Convergence Study of QM/MM Isomerization Energies with the Selected Size of the QM Region for Peptidic Systems†

Published 2009 View Full Article

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Title
A Convergence Study of QM/MM Isomerization Energies with the Selected Size of the QM Region for Peptidic Systems†
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 43, Pages 11734-11741
Publisher
American Chemical Society (ACS)
Online
2009-07-08
DOI
10.1021/jp902876n

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