Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants-Reference-Cited by-同舟云学术

Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants

Published:2015-09-25 Issue:27 Volume:120 Page:4634-4642
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Galano Annia¹,Muñoz-Rugeles Leonardo²,Alvarez-Idaboy Juan Raul²,Bao Junwei Lucas³,Truhlar Donald G.³

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina. Iztapalapa, 09340 México D.F., México

2. Departamento de Física y Química Teórica, Facultad de Química, Universidad Nacional Autónoma de México, México D.F. 04510, México

3. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Funder

Dirección General Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Consejo Nacional de Ciencia y Tecnología

U.S. Department of Energy

Fondo Sectorial de Investigación para la Educación

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b07662

Reference58 articles.