The H + D2 → HD + D Reaction. Quasiclassical Trajectory Study of Cross Sections, Rate Constants, and Kinetic Isotope Effect-Reference-Cited by-同舟云学术

The H + D2 → HD + D Reaction. Quasiclassical Trajectory Study of Cross Sections, Rate Constants, and Kinetic Isotope Effect

Published:1997-08-01 Issue:35 Volume:101 Page:6165-6176
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Aoiz F. J.¹,Bañares L.¹,Herrero V. J.¹,Sáez Rábanos V.¹,Tanarro I.¹

Affiliation:

1. Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid, Spain, and Instituto de Estructura de la Materia (CSIC), Serrano 123, 28006 Madrid, Spain, and Departamento de Química General y Bioquímica, ETS Ingenieros de Montes, Universidad Politécnica, 28040 Madrid, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp971368u

Reference102 articles.

1. Atom—Molecule Kinetics Using ESR Detection. II. Results for D+H2→HD+H and H+D2→HD+D

2. Generalized transition state theory calculations for the reactions D+H2 and H+D2 using an accurate potential energy surface: Explanation of the kinetic isotope effect

3. Efficient polynomial expansion of the scattering Green’s function: Application to the D+H2(v=1) rate constant

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