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  1. No Access

    Article

    Quantum chemical study of reaction mechanism between plutonium and nitrogen

    The study of the reaction between plutonium and nitrogen is helpful in further understanding the interaction between plutonium and air molecules. Currently, there is no research on the microscopic reaction mec...

    Zhao-Yang Zhao, Guo-Liang Wang, Xu-Dan Chen, Chun-Bao Qi… in Journal of Molecular Modeling (2021)

  2. No Access

    Article

    Molecular dynamics research on effect of do** defects on properties of PETN

    To investigate the effect of do** defects on properties of pentaerythritol tetranitrate (PETN), the “perfect” and do** defective crystal models of PETN containing pentaerythritol (PE), pentaerythritol mono...

    Chun-bao Qi, Tao Wang, Shuang Miao, Yu-ling Wang… in Journal of Molecular Modeling (2019)