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ACS Omega|April 7, 2025
Au<sup>I</sup> Complexes with Planar Tetracoordinate Carbon and Their Catalytic Activity for the Rearrangement of Allylic Acetates: A Computational StudyMiaorun Zhang, Junjing Gu, Yi Zhao
Physical Chemistry Chemical Physics : PCCP|November 4, 2024
Double-boron heterocyclic carbenes: a computational study of Diels-Alder reactionsChangyu Cao, Congjie Zhang, Junjing Gu, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 30, 2016
Oxygen-Molecule Adsorption and Dissociation on BCN Graphene: A First-Principles StudyShaobin Tang, Weihua Wu, Liangxian Liu, et al.
Physical Chemistry Chemical Physics : PCCP|February 6, 2024
Designing thermally activated delayed fluorescence emitters with through-space charge transfer: a theoretical studyJinhui Song, Xin Lv, Junjing Gu, et al.
Journal of Chemical Theory and Computation|December 2, 2015
Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An Ab Initio Valence Bond StudyJunjing Gu, Yonghui Lin, Ben Ma, 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 the American Chemical Society|June 14, 2017
Valence Bond Theory Reveals Hidden Delocalized Diradical Character of PolyenesJunjing Gu, Wei Wu, David Danovich, et al.
The Journal of Chemical Physics|October 10, 2014
Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as referenceZhenhua Chen, Xun Chen, Fuming Ying, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Bonding Conundrums in the C2 Molecule: A Valence Bond StudyPeifeng Su, Jifang Wu, Junjing Gu, et al.
Journal of the American Chemical Society|March 20, 2019
Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?Junjing Gu, Wei Wu, Thijs Stuyver, et al.
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