A Quantum Chemical and Classical Transition State Theory Explanation of Negative Activation Energies in OH Addition To Substituted Ethenes-Reference-Cited by-同舟云学术

A Quantum Chemical and Classical Transition State Theory Explanation of Negative Activation Energies in OH Addition To Substituted Ethenes

Published:2000-04-01 Issue:15 Volume:122 Page:3715-3720
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Alvarez-Idaboy J. Raúl¹,Mora-Diez Nelaine¹,Vivier-Bunge Annik¹

Affiliation:

1. Contribution from the Laboratorio de Química Computacional y Teórica, Facultad de Química, Universidad de La Habana, Habana 10400, Cuba, Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada B3H 4J3, and Departamento de Química, Universidad Autónoma Metropolitana, Iztapalapa, 09340 México, D.F., Mexico

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja993693w

Reference17 articles.

1. Gas-Phase Tropospheric Chemistry of Volatile Organic Compounds: 1. Alkanes and Alkenes

2. Calculated barrier heights for OH + C2H2 and OH + C2H4 using unrestricted Moeller-Plesset perturbation theory with spin annihilation

3. Understanding the activation energy trends for the C2H4+OH→C2H4OH reaction by using canonical variational transition state theory

4. Reactivity and Regioselectivity of Hydroxyl Radical Addition to Halogenated Ethenes

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