‘‘Direct’’ calculation of quantum mechanical rate constants via path integral methods: Application to the reaction path Hamiltonian, with numerical test for the H+H2reaction in 3D-Reference-Cited by-同舟云学术

‘‘Direct’’ calculation of quantum mechanical rate constants via path integral methods: Application to the reaction path Hamiltonian, with numerical test for the H+H2reaction in 3D

Published:1985-06-15 Issue:12 Volume:82 Page:5475-5484
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Yamashita Koichi,Miller William H.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.448582

Reference31 articles.

1. Quantum mechanical rate constants for bimolecular reactions

2. Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants

3. Quantum Statistical Mechanical Theory of the Rate of Exchange Chemical Reactions in the Gas Phase

4. Quantum Statistical Mechanical Theory of the Rate of Exchange Chemical Reactions in the Gas Phase

5. Quantum Theory of Activated Events in Condensed Phases

Cited by 122 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. Assessing and rationalizing the performance of Hessian update schemes for reaction path Hamiltonian rate calculations;The Journal of Chemical Physics;2021-11-28

2. Reactive flux;Reaction Rate Theory and Rare Events Simulations;2017

3. Quantum Instanton Evaluations of the Thermal Rate Constants for Complex Systems;Advances in Physical Chemistry;2012-12-11

4. Publications;Molecular Physics;2012-05-10

5. The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry;The Journal of Chemical Physics;2011-09-21