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Title: Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes

Authors:
; ;
Publication Date:
OSTI Identifier:
1252064
Grant/Contract Number:
SC0008662
Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 10; Journal Issue: 12; Related Information: CHORUS Timestamp: 2016-09-01 11:18:53; 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