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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|March 2, 2006
Barriers of hydrogen abstraction vs halogen exchange: an experimental manifestation of charge-shift bondingPhilippe C Hiberty, Claire Megret, Lingchun Song, et al.Journal of the American Chemical Society|March 23, 2006
The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM studyAhmet Altun, Victor Guallar, Richard A Friesner, et al.Journal of the American Chemical Society|October 14, 2004
Valence bond calculations of hydrogen transfer reactions: a general predictive pattern derived from theoryPeifeng Su, Lingchun Song, Wei Wu, et al.The Journal of Physical Chemistry Letters|October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response MethodologyVladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.Journal of the American Chemical Society|December 17, 2013
Why is (SiO)(4) calculated to be tetrahedral, whereas (CO)(4) is square planar? A molecular orbital analysisSebastian Kozuch, David A Hrovat, Weston Thatcher BordenJournal of the American Chemical Society|January 5, 2017
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C-H Bond InsertionCaiyun Geng, Jilai Li, Thomas Weiske, 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.Pageof 34