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Quantum State-Resolved Nonadiabatic Dynamics of the H+NaF→Na+HF Reaction

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摘要 The H+NaF reaction is investigated at the quantum state-resolved level using the time-dependent wavepacket method based on a set of accurate diabatic potential energy surfaces.Oscillatory structures in the total reaction probability indicate the presence of the short-lived intermediate complex.
作者 毛叶 陈航航 杨紫江 布仁巴雅尔 陈茂笃 Ye Mao;Hanghang Chen;Zijiang Yang;Bayaer Buren;Maodu Chen(Key Laboratory of Materials Modification by Laser,Electron,and Ion Beams(Ministry of Education),School of Physics,Dalian University of Technology,Dalian 116024,China;School of Science,Shenyang University of Technology,Shenyang 110870,China)
出处 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第3期152-160,共9页 中国物理快报(英文版)
基金 supported by the National Natural Science Foundation of China(Grant Nos.12374226 and 12304273)。
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