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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
Stationary point energies with various methods, opacity functions for different reaction pathways, the integral cross sections σ calculated by the opacity functions, interaction times of the trajectories, F −···Cα distances versus time for indirect trajectories, and animations S1 - S3 showing trajectories of representative indirect mechanisms.

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

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