Combining 2d-Periodic Quantum Chemistry with Molecular Force Fields: A Novel QM/MM Procedure for the Treatment of Solid-State Surfaces and Interfaces

Published 2015 View Full Article

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Title
Combining 2d-Periodic Quantum Chemistry with Molecular Force Fields: A Novel QM/MM Procedure for the Treatment of Solid-State Surfaces and Interfaces
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 12, Pages 5873-5887
Publisher
American Chemical Society (ACS)
Online
2015-10-29
DOI
10.1021/acs.jctc.5b00548

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