Mapped Interpolation Scheme for Single-Point Energy Corrections in Reaction Rate Calculations and a Critical Evaluation of Dual-Level Reaction Path Dynamics Methods-Reference-Cited by-同舟云学术

Mapped Interpolation Scheme for Single-Point Energy Corrections in Reaction Rate Calculations and a Critical Evaluation of Dual-Level Reaction Path Dynamics Methods

Published:1999-02-01 Issue:8 Volume:103 Page:1140-1149
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Chuang Yao-Yuan¹,Corchado José C.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, Badajoz 06071, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9842493

Reference79 articles.

1. Variational Transition State Theory

2. (b) Allison, T. C.; Truhlar, D. G. InModern Methods for Multidimensionaldynamics Computations in Chemistry; Thompson, D. L., Ed.; World Scientific: Singapore, 1998; p 618−712.

3. Current Status of Transition-State Theory

4. Variational transition state theory for activated chemical reactions in solution

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