van der Waals density functional study of CO2 binding in zeolitic imidazolate frameworks
Author(s) -
Keith G. Ray,
David L. Olmsted,
Ning He,
Yao Houndonougbo,
Brian B. Laird,
Mark Asta
Publication year - 2012
Publication title -
physical review b
Language(s) - Uncategorized
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.85.085410
Subject(s) - van der waals force , binding energy , density functional theory , materials science , molecule , computational chemistry , physics , topology (electrical circuits) , chemistry , atomic physics , quantum mechanics , combinatorics , mathematics
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