A density functional study of possible intermediates of the reaction of dioxygen molecule with non-heme iron complexes. 1. N-side versus O-side mechanism with water-free model

Journal of Physical Chemistry B

Volumn 105, Issue 36, 2001, Pages 8616-8628

  Torrent, Maricel ^a   Mogi, Koichi ^a   Basch, Harold ^a,b   Musaev, Djamaladdin G ^a   Morokuma, Keiji ^a  

^a EMORY UNIVERSITY   (United States)

^b BAR ILAN UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXES;

COMPLEXATION; IRON; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; WATER;

MOLECULES;

EID: 0035856073     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0114743     Document Type: Article

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