Unique structural and electronic features of perferryl-oxo oxidant in cytochrome P450

Journal of Physical Chemistry B

Volumn 115, Issue 36, 2011, Pages 10730-10738

  Isobe, Hiroshi ^a   Yamanaka, Syusuke ^a   Okumura, Mitsutaka ^a   Yamaguchi, Kizashi ^a   Shimada, Jiro ^b  

^a OSAKA UNIVERSITY   (Japan)

^b NEC CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXCITED STATES; LIGANDS;

ATOMIC OXYGEN; BOND DISTORTIONS; COMPOUND I; CYTOCHROME P450; ELECTRON REPULSION; ELECTRONIC CONFIGURATION; HYBRID DENSITY FUNCTIONAL THEORY; MIXED-VALENT; OPTIMIZED STRUCTURES; OXO LIGANDS; RESONANCE STATE; THIOLATE LIGANDS;

OXIDANTS;

EID: 80052543097     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp206004y     Document Type: Article

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