Binding energy of gas molecule with two pyrazine molecules as organic linker in metal-organic framework: Its theoretical evaluation and understanding of determining factors

Theoretical Chemistry Accounts

Volumn 130, Issue 2-3, 2011, Pages 475-482

  Deshmukh, Milind M ^a   Sakaki, Shigeyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Binding energy; Dispersion interaction; Metal organic framework; Molecular polarizability

Indexed keywords

EID: 81555197099     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-1025-6     Document Type: Article

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