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Journal of Computational Chemistry|October 1, 2019
TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic ReactivityThijs Stuyver, Jing Huang, Dibyendu Mallick, et al.Journal of Chemical Theory and Computation|November 24, 2015
DFVB: A Density-Functional-Based Valence Bond MethodFuming Ying, Peifeng Su, Zhenhua Chen, et al.Journal of Computational Chemistry|October 5, 2018
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactionsChangwei Wang, David Danovich, Sason Shaik, et al.Accounts of Chemical Research|August 4, 2022
How Do Metalloproteins Tame the Fenton Reaction and Utilize •OH Radicals in Constructive Manners?Binju Wang, Xuan Zhang, Wenhan Fang, et al.Angewandte Chemie (International Ed. in English)|December 17, 2008
The inverted bond in [1.1.1]propellane is a charge-shift bondWei Wu, Junjing Gu, Jinshuai Song, et al.Journal of Chemical Theory and Computation|November 20, 2015
The Fe(III)(H2O2) Complex as a Highly Efficient Oxidant in Sulfoxidation Reactions: Revival of an Underrated Oxidant in Cytochrome P450Binju Wang, Chunsen Li, Kyung-Bin Cho, 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.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 23, 2003
An accurate barrier for the hydrogen exchange reaction from valence bond theory: is this theory coming of age?Lingchun Song, Wei Wu, Philippe C Hiberty, et al.Pageof 34