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Journal of Chemical Theory and Computation|November 24, 2015
Dioxygen Activation by a Non-Heme Iron(II) Complex: Theoretical Study toward Understanding Ferric-Superoxo ComplexesHui Chen, Kyung-Bin Cho, Wenzhen Lai, et al.Journal of the American Chemical Society|February 8, 2007
Structural dynamics of the cooperative binding of organic molecules in the human cytochrome P450 3A4Dan Fishelovitch, Carina Hazan, Sason Shaik, et al.Faraday Discussions|March 3, 2007
The physical origin of large covalent-ionic resonance energies in some two-electron bondsPhilippe C Hiberty, Romain Ramozzi, Lingchun Song, et al.Journal of Computational Chemistry|October 25, 2006
A valence bond study of the dioxygen moleculePeifeng Su, Lingchun Song, Wei Wu, et al.The Journal of Physical Chemistry. A|March 12, 2008
Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl?Peifeng Su, Lingchun Song, Wei Wu, et al.Journal of the American Chemical Society|February 27, 2008
Effect of external electric fields on the C-H bond activation reactivity of nonheme iron-oxo reagentsHajime Hirao, Hui Chen, Maria Angels Carvajal, et al.Journal of the American Chemical Society|April 10, 2016
Emergence of Function in P450-Proteins: A Combined Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty AcidsRajeev Ramanan, Kshatresh Dutta Dubey, Binju Wang, et al.The Journal of Physical Chemistry. A|July 3, 2009
Valence bond perturbation theory. A valence bond method that incorporates perturbation theoryZhenhua Chen, Jinshuai Song, Sason Shaik, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 5, 2009
Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding typesLixian Zhang, Fuming Ying, Wei Wu, et al.Journal of the American Chemical Society|February 20, 2003
Is the ruthenium analogue of compound I of cytochrome p450 an efficient oxidant? A theoretical investigation of the methane hydroxylation reactionPankaz K Sharma, Sam P De Visser, François Ogliaro, et al.Pageof 30