Prediction of CO 2 Adsorption Properties in Zeolites Using Force Fields Derived from Periodic Dispersion-Corrected DFT Calculations

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Bibliographic Details
Published in:Journal of physical chemistry. C 2012-05, Vol.116 (19), p.10692-10701
Main Authors: Fang, Hanjun, Kamakoti, Preeti, Zang, Ji, Cundy, Stephen, Paur, Charanjit, Ravikovitch, Peter I., Sholl, David S.
Format: Article
Language:English
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ISSN:1932-7447
1932-7455
DOI:10.1021/jp302433b