Quantum Chemical Calculations of the Cl− + CH3I → CH3Cl + I− Potential Energy Surface-Reference-Cited by-同舟云学术

Quantum Chemical Calculations of the Cl− + CH3I → CH3Cl + I− Potential Energy Surface

Published:2008-12-30 Issue:10 Volume:113 Page:1976-1984
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhang Jiaxu¹,Lourderaj Upakarasamy¹,Addepalli Srirangam V.¹,de Jong Wibe A.¹,Hase William L.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-106, High Performance Computing Center, Texas Tech University, Lubbock, Texas 79409, and Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp808146c

Reference101 articles.

1. Dynamics of proton transfer involving delocalized negative ions in the gas phase

2. Moylan, C. R.; Brauman, J. I.InAdvances in Classical Trajectory Methods;Hase, W. L., Ed.JAI Press:New York, 1994; Vol.2, p95.

3. Simulations of Gas-Phase Chemical Reactions: Applications to S N 2 Nucleophilic Substitution

4. Gas-Phase Ionic Reactions: Dynamics and Mechanism of Nucleophilic Displacements

5. Gas-Phase Reactions of the Iodide Ion with Chloromethane and Bromomethane: Competition between Nucleophilic Displacement and Halogen Abstraction

Cited by 30 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Reaction dynamics of the methoxy anion CH₃O⁻ with methyl iodide CH₃I;Faraday Discussions;2024

2. Dynamics of the Cl− + CH3I reaction on a high-level ab initio analytical potential energy surface;The Journal of Chemical Physics;2023-05-17

3. Direct chemical dynamics simulations of CN⁻ + CH₃I bimolecular nucleophilic substitution reaction;Physical Chemistry Chemical Physics;2023

4. Theoretical Studies on OH⁻+NH₂Cl Reaction: Nucleophilic Substitution at Neutral Nitrogen;Journal of Computational Biophysics and Chemistry;2022-12-23

5. Non‐statistical dynamics for the allene oxide to cyclopropanone conversion;Journal of Physical Organic Chemistry;2022-05-30