Open AccessA Valence Bond Modeling of Trends in Hydrogen Abstraction Barriers and Transition States of Hydroxylation Reactions Catalyzed by Cytochrome P450 Enzymes
Author(s) -
Sason Shaik,
Devesh Kumar,
Sam P. de Visser
Publication year - 2008
Publication title -
journal of the american chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.115
H-Index - 612
eISSN - 1520-5126
pISSN - 0002-7863
DOI - 10.1021/ja806917f
Subject(s) - chemistry , hydroxylation , hydrogen atom abstraction , valence bond theory , catalysis , valence (chemistry) , transition state , hydrogen bond , cytochrome p450 , hydrogen , enzyme , abstraction , photochemistry , computational chemistry , stereochemistry , combinatorial chemistry , organic chemistry , molecule , molecular orbital , philosophy , epistemology
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