Reaction Force and Its Link to Diabatic Analysis: A Unifying Approach to Analyzing Chemical Reactions-Reference-Cited by-同舟云学术

Reaction Force and Its Link to Diabatic Analysis: A Unifying Approach to Analyzing Chemical Reactions

Published:2010-09-14 Issue:19 Volume:1 Page:2858-2862
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Politzer Peter¹,Reimers Jeffrey R.²,Murray Jane S.¹,Toro-Labbé Alejandro³

Affiliation:

1. CleveTheoComp LLC, 1951 West 26th Street, Suite 409, Cleveland, Ohio 44113

2. School of Chemistry, The University of Sydney, NSW 2006, Australia

3. Laboratorio de Química Teórica Computacional (QTC), Facultad de Química, Pontificia Universidad Católica de Chile, Vicuña Mackenna 4860, Casilla 306, Correo 22, Santiago, Chile

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz101135y

Reference32 articles.

1. The path of chemical reactions - the IRC approach

2. Reaction path following in mass-weighted internal coordinates

3. Characterization of Chemical Reactions from the Profiles of Energy, Chemical Potential, and Hardness

4. A new perspective on chemical and physical processes: the reaction force

5. Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction

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