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Density functional theory study on the C–H bond activation of alkane by cytochrome P450

✍ Scribed by Kazunari Yoshizawa


Book ID
117550226
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
109 KB
Volume
1233
Category
Article
ISSN
0531-5131

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## Abstract Density functional theory calculations have been performed to elucidate the factors that influence the regioselectivity of toluene hydroxylation by a model of the active species of cytochrome P450 enzymes, so‐called Compound I (Cpd I). Cpd I can hydroxylate the benzylic C–H and generate