A Density Functional Study of Possible Intermediates of the Reaction of Dioxygen Molecule with Non-Heme Iron Complexes. 1.N-Side versusO-Side Mechanism with Water-Free Model

2001 ◽  
Vol 105 (36) ◽  
pp. 8616-8628 ◽  
Author(s):  
Maricel Torrent ◽  
Koichi Mogi ◽  
Harold Basch ◽  
Djamaladdin G. Musaev ◽  
Keiji Morokuma
Keyword(s):  
Density Functional ◽  
Iron Complexes ◽  
Heme Iron ◽  
Functional Study ◽  
Density Functional Study ◽  
Non Heme Iron ◽  
Free Model

A Density Functional Study of O−O Bond Cleavage for a Biomimetic Non-Heme Iron Complex Demonstrating an FeV-Intermediate

2002 ◽  
Vol 124 (37) ◽  
pp. 11056-11063 ◽  
Author(s):  
Arianna Bassan ◽  
Margareta R. A. Blomberg ◽  
Per E. M. Siegbahn ◽  
Lawrence Que
Keyword(s):  
Density Functional ◽  
Bond Cleavage ◽  
Iron Complex ◽  
Heme Iron ◽  
Functional Study ◽  
Density Functional Study ◽  
Non Heme Iron
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