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Nuclear magnetic resonance studies of porphyrin .pi.-cation radical in ruthenium(II)-substituted horseradish peroxidase and some implications for the electronic state of peroxidase compound I

✍ Scribed by Morishima, Isao; Shiro, Yoshitsugu; Nakajima, Keizo

Book ID: 126918034
Publisher: American Chemical Society
Year: 1986
Tongue: English
Weight: 969 KB
Volume: 25
Category: Article
ISSN: 0006-2960
DOI: 10.1021/bi00360a016

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A CAS SCF study of the iron-oxo-porphyrin π radical cation: Similarity in FeO electronic structure between peroxidase compounds I and II

✍ Shigeyoshi Yamamoto; Hiroshi Kashiwagi 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 465 KB

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: