Thermochemical Properties, Rotation Barriers, and Group Additivity for Unsaturated Oxygenated Hydrocarbons and Radicals Resulting from Reaction of Vinyl and Phenyl Radical Systems with O2-Reference-Cited by-同舟云学术

Thermochemical Properties, Rotation Barriers, and Group Additivity for Unsaturated Oxygenated Hydrocarbons and Radicals Resulting from Reaction of Vinyl and Phenyl Radical Systems with O2

Published:2005-02-17 Issue:10 Volume:109 Page:2233-2253
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sebbar Nadia¹,Bockhorn Henning¹,Bozzelli Joseph W.²

Affiliation:

1. Institut für Technische Chemie and Polymerchemie, Universität Karlsruhe (TH), Kaiserstrasse 12, 76128 Karlsruhe, Germany

2. Department of Chemical Engineering, Chemistry, and Environmental Science, New Jersey Institute of Technology, Newark, New Jersey 07102

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp046285%2B

Reference81 articles.

1. Computational prediction of new mechanisms for the reactions of vinyl and phenyl radicals with molecular oxygen

2. Ab Initio Computation of Combustion Kinetics. 1. Vinyl Radical + O2

3. Ring Opening of Dioxiranylmethyl Radical: A Caution on the Use of G2-Type ab Initio MO Methods for Mechanistic Analysis

4. Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties

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