Flexible-boundary QM/MM calculations: II. Partial charge transfer across the QM/MM boundary that passes through a covalent bond

Published 2009 View Full Article

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Title
Flexible-boundary QM/MM calculations: II. Partial charge transfer across the QM/MM boundary that passes through a covalent bond
Authors
Keywords
-
Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 126, Issue 5-6, Pages 315-322
Publisher
Springer Nature
Online
2009-12-05
DOI
10.1007/s00214-009-0704-z

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