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• W1964853171 abstract "A quantum chemical study of the two low-lying quartet states of seven model compound I ironporphyrin complexes with varying axial ligands has been carried out using the INDO method. The varying axial ligands included in this study are five that are models for those in the intact enzymes: imidazole and imidazolate (model peroxidase HRP and CCP), CH 3 CONH 2 (Gln175 mutant of CCP), PhO -1 (catalase), CH 3 S -1 (P450), and two that have been used in biomimetics of these enzymes: Cl -1 (hemin) and PhS -1 (model P450s)" @default.
• W1964853171 created "2016-06-24" @default.
• W1964853171 creator A5026429874 @default.
• W1964853171 creator A5043838902 @default.
• W1964853171 date "1992-09-05" @default.
• W1964853171 modified "2023-09-27" @default.
• W1964853171 title "Role of axial ligand in the electronic structure of model compound I complexes" @default.
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• W1964853171 doi "https://doi.org/10.1002/qua.560440212" @default.
• W1964853171 hasPublicationYear "1992" @default.
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