Interpolated Variational Transition-State Theory by Mapping-Reference-Cited by-同舟云学术

Interpolated Variational Transition-State Theory by Mapping

Published:1998-03-17 Issue:14 Volume:102 Page:2424-2438
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Corchado José C.¹,Coitiño E. Laura¹,Chuang Yao-Yuan¹,Fast Patton L.¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 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/jp9801267

Reference54 articles.

1. Improved treatment of threshold contributions in variational transition-state theory

2. Polyatomic canonical variational theory for chemical reaction rates. Separable‐mode formalism with application to OH+H2→H2O+H

3. Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. InTheory of ChemicalReaction Dynamics; Baer, M., Ed. (CRC Press: Boca Raton, FL, 1985; Vol. 4, pp 65−137.

4. Variational Transition State Theory

5. POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics

Cited by 149 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Computational study of the mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis;Faraday Discussions;2024

2. HO₂˙ as a potential reactant for the bimolecular reaction of tert-butoxy radicals in the atmosphere;Physical Chemistry Chemical Physics;2024

3. Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement;Computer Physics Communications;2024-01

4. Exploring the Antioxidant Properties of Caffeoylquinic and Feruloylquinic Acids: A Computational Study on Hydroperoxyl Radical Scavenging and Xanthine Oxidase Inhibition;Antioxidants;2023-08-25

5. Computational assessment of the primary and secondary antioxidant potential of alkylresorcinols in physiological media;RSC Advances;2023