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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 Computational Chemistry|October 5, 2018
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactionsChangwei Wang, David Danovich, Sason Shaik, 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.Journal of Computational Chemistry|September 27, 2017
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?Changwei Wang, Yuzhuang Fu, Lina Zhang, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 1, 2014
The nature of the fourth bond in the ground state of C2: the quadruple bond conundrumDavid Danovich, Philippe C Hiberty, Wei Wu, et al.Chemical Society Reviews|April 9, 2014
A tutorial for understanding chemical reactivity through the valence bond approachDandamudi Usharani, Wenzhen Lai, Chunsen Li, et al.Journal of Chemical Theory and Computation|November 20, 2015
Understanding the Nature of the CH···HC Interactions in AlkanesDavid Danovich, Sason Shaik, Frank Neese, et al.Journal of Chemical Theory and Computation|November 24, 2015
Spin-Orbit Coupling and Outer-Core Correlation Effects in Ir- and Pt-Catalyzed C-H ActivationKejuan Chen, Guiling Zhang, Hui Chen, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 9, 2005
Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approachSason Shaik, David Danovich, Bernard Silvi, et al.Journal of the American Chemical Society|June 14, 2017
Valence Bond Theory Reveals Hidden Delocalized Diradical Character of PolyenesJunjing Gu, Wei Wu, David Danovich, et al.Pageof 30