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posted on 2025-05-12, 04:05 authored by Wenqing Zhen, Gang Fu, Li Yang, Hongyi Wang, Li Sheng, Jianmin Sun, Jiaxu Zhang
A indirect trajectory trapped in RC pre-reaction potential energy well and forming a long-time reaction intermediate for the anti-E2 reaction F−+ i-C3H7Cl → CH3CH2=CH2 + HF + Cl-.

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    DOI - Is supplement to <strong>Dynamics of sterically hindered F</strong><sup>− </sup><strong>+ <em>i</em>-C<sub>3</sub>H<sub>7</sub>Cl reaction: <strong>An enhancement of indirect mechanisms</strong> </strong>

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    Journal of Chemical Physics

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    Keywords

    E2/SN2; Methyl substitution; Dynamics simulation; Atomistic Mechanisms

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    CC BY-NC 4.0

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