On the nature of the interaction between H2 and metal-organic frameworks

Theoretical Chemistry Accounts

Volumn 120, Issue 4-6, 2008, Pages 543-550

  Kuc, Agnieszka ^a   Heine, Thomas ^a,b   Seifert, Gotthard ^a   Duarte, Hélio A ^c  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^b JACOBS UNIVERSITY BREMEN   (Germany)

^c FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

DFT; Electrostatic interaction; Hydrogen storage; IRMOF 1; London dispersion; MP2

Indexed keywords

EID: 45449114973     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0439-2     Document Type: Article

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