Influence of Coupling and Embedding Schemes on QM Size Convergence in QM/MM Approaches for the Example of a Proton Transfer in DNA

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Title
Influence of Coupling and Embedding Schemes on QM Size Convergence in QM/MM Approaches for the Example of a Proton Transfer in DNA
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 3, Pages 1102-1107
Publisher
American Chemical Society (ACS)
Online
2017-02-15
DOI
10.1021/acs.jctc.6b00727

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