On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function. - Jun Zhu 006; Christian Dahlstrand; Joshua R. Smith 002; Sébastien Villaume; Henrik Ottosson (Symmetry, 2010)

Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase SN2 reaction. - Wen-Yang Zhao; Jie Yu; Si-Jia Ren; Xi-Guang Wei; Fang-Zhou Qiu; Peng-Hui Li; He Li; Yi-Peng Zhou; Chang-Zhen Yin; An-Pu Chen; Hao Li 052; Lei Zhang; et al. (J. Comput. Chem., 2015)

Rational design of the nickel-borane complex for efficient hydrogenation of styrene. - Lei Zhang; Qin Zhu; Liuzhou Gao; Linlin Yang; Wei Li 066; Shuhua Li; Jun Zhu 006; Wei Wang; Guixiang Zeng (J. Comput. Chem., 2021)

Adaptive σ aromaticity in the rhenacyclopropene rings. - Qianqian Deng; Jun Zhu 006 (J. Comput. Chem., 2023)

Screening seven-electron boron-centered radicals for dinitrogen activation. - Jie Zeng; Feiying You; Jun Zhu 006 (J. Comput. Chem., 2024)