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Inorganic Chemistry|October 13, 2006
Catalysts for monooxygenations made from polyoxometalate: an iron(V)-oxo derivative of the Lindqvist anionEtienne Derat, Devesh Kumar, Ronny Neumann, et al.The Journal of Physical Chemistry. B|April 22, 2010
Brain chemistry: how does P450 catalyze the O-demethylation reaction of 5-methoxytryptamine to yield serotonin?Patric Schyman, Dandamudi Usharani, Yong Wang, et al.Journal of the American Chemical Society|January 13, 2006
Gauging the relative oxidative powers of compound I, ferric-hydroperoxide, and the ferric-hydrogen peroxide species of cytochrome P450 toward C-H hydroxylation of a radical clock substrateEtienne Derat, Devesh Kumar, Hajime Hirao, et al.The Journal of Physical Chemistry. B|April 5, 2008
Quantum and molecular mechanical study of the first proton transfer in the catalytic cycle of cytochrome P450cam and its mutant D251NDongqi Wang, Jingjing Zheng, Sason Shaik, et al.Journal of Computational Chemistry|September 11, 2012
An efficient algorithm for complete active space valence bond self-consistent field calculationJinshuai Song, Zhenhua Chen, Sason Shaik, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 15, 2004
One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymesSason Shaik, Samuël P de Visser, Devesh KumarJournal of the American Chemical Society|June 2, 2005
Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?Devesh Kumar, Hajime Hirao, Lawrence Que, et al.Journal of Chemical Theory and Computation|November 25, 2015
Perferryl Fe(V)-Oxo Nonheme Complexes: Do They Have High-Spin or Low-Spin Ground States?Hui Chen, Wenzhen Lai, Jiannian Yao, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 10, 2009
Oriented electric fields accelerate Diels-Alder reactions and control the endo/exo selectivityRinat Meir, Hui Chen, Wenzhen Lai, et al.Angewandte Chemie (International Ed. in English)|February 1, 2024
Flavin-N5OOH Functions as both a Powerful Nucleophile and a Base in the Superfamily of FlavoenzymesQiaoyu Zhang, Qianqian Chen, Sason Shaik, et al.Pageof 30