Variational Transition-State Theory with Optimized Orientation of the Dividing Surface and Semiclassical Tunneling Calculations for Deuterium and Muonium Kinetic Isotope Effects in the Free Radical Association Reaction H + C2H4 → C2H5-Reference-Cited by-同舟云学术

Variational Transition-State Theory with Optimized Orientation of the Dividing Surface and Semiclassical Tunneling Calculations for Deuterium and Muonium Kinetic Isotope Effects in the Free Radical Association Reaction H + C2H4 → C2H5

Published:1999-06-16 Issue:26 Volume:103 Page:5061-5074
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Villà Jordi¹,Corchado José C.¹,González-Lafont Angels¹,Lluch José M.¹,Truhlar Donald G.¹

Affiliation:

1. Unitat de Química Física, Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain, Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, Grup de Recerca en Informàtica Mèdica, Institut Municipal d'Investigació Mèdica, IMIM, Doctor Aiguader 80, 08003 Barcelona, Spain, and Departamento de Química Física, Universidad de Extremadura, 06071 Badajoz, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp990970c

Reference124 articles.

1. THE THERMAL DECOMPOSITION OF ETHANE: PART I. INITIATION AND TERMINATION STEPS

2. THE THERMAL DECOMPOSITION OF ETHANE: PART I. INITIATION AND TERMINATION STEPS

3. Thermal decomposition of the ethyl radical

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