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Volumn 71, Issue 8, 1998, Pages 1899-1909

Methane Hydroxylation on a Diiron Model of Soluble Methane Monooxygenase

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[No Author keywords available]

Indexed keywords


EID: 0000524754     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.71.1899     Document Type: Article
Times cited : (51)

References (113)
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    • note
    • Our computations can be improved by using higher-level multiconfigurational methods, but we believe that the essential features of the energetics and the reaction species along the reaction pathway are described reasonably well with the present DFT method.
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    • MOOP was introduced by D. M. Prosperio and C. Mealli in CACAO (a package of programs for extended Hückel molecular orbital analysis).
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