Ab Initio and RRKM Study of the HCN/HNC Elimination Channels from Vinyl Cyanide-Reference-Cited by-同舟云学术

Ab Initio and RRKM Study of the HCN/HNC Elimination Channels from Vinyl Cyanide

Published:2011-01-25 Issue:6 Volume:115 Page:979-985
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Homayoon Zahra¹²,Vázquez Saulo A.¹,Rodríguez-Fernández Roberto¹,Martínez-Núñez Emilio¹

Affiliation:

1. Departamento de Química Física y Centro Singular de Investigación en Química Biológica y Materiales Moleculares, Campus Vida, Universidad de Santiago de Compostela, 15782 Santiago de Compostela, Spain

2. Department of Chemistry, College of Sciences, Shiraz University, Shiraz 71454, Iran

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp109843a

Reference39 articles.

1. Ab initio and RRKM study of the elimination of HF and HCl from chlorofluoroethylene

2. Rotational distributions of HBr in the photodissociation of vinyl bromide at 193nm: An investigation by direct quasiclassical trajectory calculations

3. Further investigation of the HCl elimination in the photodissociation of vinyl chloride at 193 nm: a direct MP2/6-31G(d,p) trajectory study

4. Rovibrational distributions of HF in the photodissociation of vinyl fluoride at 193 nm: A direct MP2 quasiclassical trajectory study

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