Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment-Reference-Cited by-同舟云学术

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Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment

Published:2013-04-09 Issue:32 Volume:117 Page:7162-7178
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Xie Jing¹,Sun Rui¹,Siebert Matthew R.²,Otto Rico³,Wester Roland³,Hase William L.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States

2. Department of Chemistry, Missouri State University, Springfield, Missouri 65897, United States

3. Institut fur Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25/3, A-6020 Innsbruck, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp4008027

Reference68 articles.

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

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

3. Measurements of Solvent and Secondary Kinetic Isotope Effects for the Gas-Phase SN2 Reactions of Fluoride with Methyl Halides

4. Experimental Validation of the α-Effect in the Gas Phase

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

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