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Title: Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks

Authors:
; ; ; ; ; ; ; ; ; ;
Publication Date:
OSTI Identifier:
1257491
Grant/Contract Number:
AC02-05CH11231; SC0001015
Type:
Published Article
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 120; Journal Issue: 23; Related Information: CHORUS Timestamp: 2016-09-01 08:37:03; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English