Ab Initio Calculations on the 5-exo versus 6-endo Cyclization of 1,3-Hexadiene-5-yn-1-yl Radical: Formation of the First Aromatic Ring in Hydrocarbon Combustion-Reference-Cited by-同舟云学术

Ab Initio Calculations on the 5-exo versus 6-endo Cyclization of 1,3-Hexadiene-5-yn-1-yl Radical: Formation of the First Aromatic Ring in Hydrocarbon Combustion

Published:2000-11-03 Issue:46 Volume:122 Page:11416-11422
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Olivella Santiago¹,Solé Albert¹

Affiliation:

1. Contribution from the Centre de Recerca en Química Teòrica, Departaments de Química Física i Química Orgànica, Universitat de Barcelona, Martí i Franqùes 1, 08028-Barcelona, Catalonia, Spain, and Institut d'Investigacions Químiques i Ambientals de Barcelona, Consell Superior d'Investigacions Científiques, Jordi Girona 18, 08034-Barcelona, Catalonia, Spain

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja001011v

Reference59 articles.

1. Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame

2. Soot formation

3. Mechanisms of soot nucleation in flames—A critical review

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