Identifying reaction pathways in phase space via asymptotic trajectories

Author:

Nagahata Yutaka1234ORCID,Borondo F.56786ORCID,Benito R. M.91011127ORCID,Hernandez Rigoberto1234ORCID

Affiliation:

1. Department of Chemistry

2. Johns Hopkins University

3. Baltimore

4. USA

5. Instituto de Ciencias Matemáticas (ICMAT)

6. Cantoblanco

7. Spain

8. Departamento de Química, Universidad Autónoma de Madrid

9. Grupo de Sistemas Complejos

10. Escuela Técnica Superior de Ingeniería Agronómica

11. Alimentaria y de Biosistemas

12. Universidad Politécnica de Madrid

Abstract

The asymptotic trajectories indicate the edge of the reaction pathway.

Funder

H2020 Marie Skłodowska-Curie Actions

Division of Chemistry

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference85 articles.

1. The Activated Complex in Chemical Reactions

2. Some applications of the transition state method to the calculation of reaction velocities, especially in solution

3. The transition state method

4. S. Glasstone , K. J.Laidler and H.Eyring , The theory of rate processes: the kinetics of chemical reactions, viscosity, diffusion and electrochemical phenomena , McGraw-Hill Book Company, Inc. , New York and London , 1941

5. Formulation of the reaction coordinate

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