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Horseradish peroxidase compound I: evidence for spin coupling between the heme iron and a ‘free’ radical

✍ Scribed by C.E. Schulz; P.W. Devaney; H. Winkler; P.G. Debrunner; N. Doan; R. Chiang; R. Rutter; L.P. Hager


Book ID
115910404
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
378 KB
Volume
103
Category
Article
ISSN
0014-5793

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A CAS SCF study of the iron-oxo-porphyri
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CAS SCF (complete active space SCF) calculations have been carried out on the ion-oxo-porphine A radical cation, which is a model for peroxidase compound I and catalase compound II. It is found that the electronic structure of the Fe-0 bond is unchanged by removal of an electron from a porphine II: