A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches

Published 2017 View Full Article

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Title
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 10, Pages 4854-4870
Publisher
American Chemical Society (ACS)
Online
2017-09-13
DOI
10.1021/acs.jctc.7b00776

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