Showing results (121-130 of 335) with videos related to
Sort By:
Pageof 34
Journal of Chemical Theory and Computation|November 25, 2015
Assessment of Theoretical Methods for Complexes of Gold(I) and Gold(III) with Unsaturated Aliphatic Hydrocarbon: Which Density Functional Should We Choose?Runhua Kang, Hui Chen, Sason Shaik, et al.Journal of Chemical Theory and Computation|November 21, 2015
On The Nature of the Halogen BondChangwei Wang, David Danovich, Yirong Mo, et al.The Journal of Physical Chemistry. B|December 17, 2008
First half-reaction mechanism of nitric oxide synthase: the role of proton and oxygen coupled electron transfer in the reaction by quantum mechanics/molecular mechanicsKyung-Bin Cho, Maria Angels Carvajal, Sason ShaikJournal of the American Chemical Society|July 12, 2008
A valence bond modeling of trends in hydrogen abstraction barriers and transition states of hydroxylation reactions catalyzed by cytochrome P450 enzymesSason Shaik, Devesh Kumar, Sam P de VisserInorganic 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 the American Chemical Society|April 5, 2019
Oriented External Electric Fields: Tweezers and Catalysts for Reactivity in Halogen-Bond ComplexesChao Wang, David Danovich, Hui Chen, 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.Pageof 34