Direct Dynamics Implementation of the Least-Action Tunneling Transmission Coefficient. Application to the CH4/CD3H/CD4+ CF3Abstraction Reactions-Reference-Cited by-同舟云学术

Direct Dynamics Implementation of the Least-Action Tunneling Transmission Coefficient. Application to the CH4/CD3H/CD4+ CF3Abstraction Reactions

Published:2010-09-02 Issue:10 Volume:6 Page:3015-3025
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Meana-Pañeda Rubén¹,Truhlar Donald G.¹,Fernández-Ramos Antonio¹

Affiliation:

1. Department of Physical Chemistry and Center for Research in Biological Chemistry and Molecular Materials, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain and Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100285a

Reference82 articles.

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

2. Chemical reaction cross sections and rate constants

3. Chapter 4. Quantum calculations on reactive collisions

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