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

Authors:
; ; ;
Publication Date:
OSTI Identifier:
1299438
Grant/Contract Number:
SC0014059
Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 12; Journal Issue: 8; Related Information: CHORUS Timestamp: 2016-09-01 08:32:50; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English