A density functional theory study of conformers in the ferrous CO complex of horseradish peroxidase with distinct Fe-C-O configurations

Journal of Physical Chemistry B

Volumn 107, Issue 8, 2003, Pages 1884-1892

  Dalosto, Sergio D ^a   Prabhu, Ninad V ^a   Vanderkooi, Jane M ^a   Sharp, Kim A ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEPROTONATION;

COMPOSITION; HYDROGEN BONDS; MATHEMATICAL MODELS; PH EFFECTS; PROBABILITY DENSITY FUNCTION;

CARBON MONOXIDE;

EID: 0037468218     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022018x     Document Type: Article

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