Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations

Computational methodologies for metal--organic frameworks and their application in gas separations were investigated. Topics related to molecular modeling are also addressed.

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Bibliographic Details
Published inChemical reviews Vol. 113; no. 10; pp. 8261 - 8323
Main Authors Yang, Qingyuan, Liu, Dahuan, Zhong, Chongli, Li, Jian-Rong
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 09.10.2013
Subjects
Chemical engineering
Computational mathematics
Metals
Organic chemistry
Photochemistry
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Summary:Computational methodologies for metal--organic frameworks and their application in gas separations were investigated. Topics related to molecular modeling are also addressed.
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ISSN:0009-2665
1520-6890
1520-6890
DOI:10.1021/cr400005f