Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design

Published 2016 View Full Article

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Title
Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 7, Pages 3135-3148
Publisher
American Chemical Society (ACS)
Online
2016-06-02
DOI
10.1021/acs.jctc.6b00272

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