Density Functional Study of the heme moiety of cytochrome

International Journal of Quantum Chemistry

Volumn 102, Issue 5 SPEC. ISS., 2005, Pages 1002-1009

  Kumar, Anil ^a   Mishra, P C ^a   Verma, C S ^b   Renugopalakrishnan, V ^c,d  

^a BANARAS HINDU UNIVERSITY   (India)

^b BIOINFORMATICS INSTITUTE   (Singapore)

^c FLORIDA INTERNATIONAL UNIVERSITY   (United States)

^d BOSTON CHILDREN S HOSPITAL   (United States)

Author keywords

B3LYP; Cytochrome c; DFT; Heme electronic structure; Nonlocal functionals

Indexed keywords

CYTOCHROME C; DFT; HEME ELECTRONIC STRUCTURE; NONLOCAL FUNCTIONALS;

CONFORMATIONS; GEOMETRY; GROUND STATE; HYDROGEN BONDS; PORPHYRINS; PROTEINS;

PROBABILITY DENSITY FUNCTION;

EID: 17644364076     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20483     Document Type: Article

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