A Single Transition State Serves Two Mechanisms. The Branching Ratio for CH2O•- + CH3Cl on Improved Potential Energy Surfaces-Reference-Cited by-同舟云学术

A Single Transition State Serves Two Mechanisms. The Branching Ratio for CH2O•- + CH3Cl on Improved Potential Energy Surfaces

Published:2006-02-04 Issue:8 Volume:110 Page:2801-2806
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Jie¹,Shaik Sason¹,Schlegel H. Bernhard¹

Affiliation:

1. Department of Chemistry, Wayne State University, Detroit, Michigan 48202, and Department of Organic Chemistry and the Lise Meitner-Minerva Center of Computational Chemistry, Hebrew University, Jerusalem 91904, Israel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0563336

Reference50 articles.

1. A Single Transition State Serves Two Mechanisms: An ab Initio Classical Trajectory Study of the Electron Transfer and Substitution Mechanisms in Reactions of Ketyl Radical Anions with Alkyl Halides

2. Are Anion Radicals Nucleophiles and/or Outersphere Electron Donors? An Ab Initio Study of the Reaction of Ethylene and Formaldehyde Anion Radicals with Methyl Fluoride and Chloride

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