Predicting hydrogen adsorption uptake in metal-organic framework (MOF) containing unsaturated coordinate coppers using molecular simulation

Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities

Volumn 32, Issue 3, 2011, Pages 758-764

  Wang, Lin ^a   Sun, Ying Xin ^a   Miao, Yan Lin ^a   Sun, Huai ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Ab initio; Coordination unsaturated complex; Hydrogen storage; Metal organic framework (MOF); Molecular mechanics force field

Indexed keywords

EID: 79955739038     PISSN: 02510790     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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