Beyond Born-Mayer: Improved Models for Short-Range Repulsion in ab Initio Force Fields

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Volume
12
Pagination
3851 - 3870
DOI
10.1021/acs.jctc.6b00209
Journal
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Issue
8
ISSN
1549-9618
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Authors
Van Vleet, MJ; Misquitta, AJ; Stone, AJ; Schmidtt, JR
URI
http://qmro.qmul.ac.uk/xmlui/handle/123456789/13069
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Licence information
http://arxiv.org/abs/1606.00734
Copyright statements
Copyright © 2016 American Chemical Society