Perspective on the reactions between F- and CH3CH2F: The free energy landscape of the E2 and SN2 reaction channels
Author:
Publisher
Proceedings of the National Academy of Sciences
Subject
Multidisciplinary
Reference10 articles.
1. Substitution and Elimination Reaction of F- with C2H5Cl: An ab Initio Molecular Dynamics Study
2. Unified Approach for Molecular Dynamics and Density-Functional Theory
3. Escaping free-energy minima
4. Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics
5. A Minimum Free Energy Reaction Path for the E2 Reaction between Fluoro Ethane and a Fluoride Ion
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1. SN2 versus E2 Competition of Cyclic Ethers;Chemistry – A European Journal;2023-08-07
2. C–F Bonds as “Frozen” Nucleophiles: Unconsummated SN2 Reactions;The Journal of Organic Chemistry;2022-09-27
3. Unexpected steric hindrance failure in the gas phase F− + (CH3)3CI SN2 reaction;Nature Communications;2022-07-30
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5. Vibrational mode-specific dynamics of the F− + CH3CH2Cl multi-channel reaction;Physical Chemistry Chemical Physics;2022
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