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Title: First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

Authors:
; ; ; ORCiD logo ;
Publication Date:
OSTI Identifier:
1250584
Grant/Contract Number:
AC02-05CH11231; SC0001015
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 17; Related Information: CHORUS Timestamp: 2016-12-26 16:51:25; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English