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Ab initio predictions for the reaction mechanism and orbital topological properties of the formation of Neptunimine, Plutonimine, and its side products.

  • 【作者】Peng,Li ,Wenxia,Niu ,Jizhou,Wu ,Yuqing,Li ,Wenliang,Liu ,Yongming,Fu ,Feng,Xie ,Yong,Wu ,Jie,Ma
  • 【刊名】Journal of molecular modeling
  • 【作者单位】School of Physics and Electronics Engineering, State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, Shanxi University, Taiyuan, 030006, China. lip@sxu.edu.cn. '(1)' ; Department of Physics, Taiyuan Normal University, Taiyuan, 030031, China. [2] ; School of Physics and Electronics Engineering, State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, Shanxi University, Taiyuan, 030006, China. [3] ; Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, 030006, China. [4] ; Institute of Nuclear and New Energy Technology, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Tsinghua University, Beijing, 100084, China. [5] ; Institute of Applied Physics and Computational Mathematics, Beijing, 100088, China. [6] ; School of Physics and Electronics Engineering, State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, Shanxi University, Taiyuan, 030006, China. mj@sxu.edu.cn. [7] ; Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, 030006, China. mj@sxu.edu.cn. [8]
  • 【年份】2020
  • 【卷号】Vol.26 No.6
  • 【页码】163
  • 【关键词】Activation mechanism Ammonia Neptunimine Plutonimine 
  • 【摘要】 Exploring the different mechanisms involved in the application of actinide is necessary to obtain a more comprehensive understanding of actinide science. In this study, the mechanisms of gas-phase Np and Pu atoms dissociating NH 3 molecules forming ...
  • 【文献类型】 期刊
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