An ab initio study of the dioxygen binding site of hemocyanin: A comparison between CASSGF, CASPT2, and DFT approaches

International Journal of Quantum Chemistry

Volumn 58, Issue 1, 1996, Pages 109-119

  Bernardi, Fernando ^a   Bottoni, Andrea ^a   Casadio, Rita ^a   Fariselli, Piero ^b   Rigo, Adelio ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF PADOVA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000080627     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)58:1<109::AID-QUA10>3.0.CO;2-2     Document Type: Review

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