Single Transition State Serves Two Mechanisms. Ab Initio Classical Trajectory Calculations of the Substitution−Electron Transfer Branching Ratio in CH2O•- + CH3Cl-Reference-Cited by-同舟云学术

Single Transition State Serves Two Mechanisms. Ab Initio Classical Trajectory Calculations of the Substitution−Electron Transfer Branching Ratio in CH2O•- + CH3Cl

Published:2004-09-08 Issue:40 Volume:108 Page:8526-8532
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Jie¹,Li Xiaosong¹,Shaik Sason¹,Schlegel H. Bernhard¹

Affiliation:

1. Department of Chemistry, Wayne State University, Detroit, Michigan 48202, Department of Organic Chemistry, Hebrew University, Jerusalem 91904, Israel, 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/jp046827n

Reference40 articles.

1. Distinguishing between concerted and nonconcerted eliminations

2. When is an intermediate not an intermediate? Enforced mechanisms of general acid-base, catalyzed, carbocation, carbanion, and ligand exchange reaction

3. Mechanism of reactions of N-(methoxymethyl)-N,N-dimethylanilinium ions with nucleophilic reagents

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