Theoretical Prediction of EPR Coupling Constants for the Determination of the Selectivity in the OH Addition to Toluene-Reference-Cited by-同舟云学术

Theoretical Prediction of EPR Coupling Constants for the Determination of the Selectivity in the OH Addition to Toluene

Published:2001-06-01 Issue:25 Volume:105 Page:6226-6231
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Uc Victor Hugo¹,García-Cruz Isidoro¹,Grand André¹,Vivier-Bunge Annik¹

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana, Iztapalapa, 09340 México, D.F., México. Programa de Simulación Molecular, Instituto Mexicano del Petróleo, 07730 México, D.F. México, and Département de Recherche Fondamentale sur la Matière Condensée, CEA-Grenoble, 17 Rue des Martyrs, 38054 Grenoble Cedex 9, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0100405

Reference24 articles.

1. Direct Detection of Hydroxy-Cyclohexadienyl in the Gas Phase by cw-UV-Laser Absorption

2. Density functional theory derived intermediates from the OH initiated atmospheric oxidation of toluene

3. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

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