A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity-Reference-Cited by-同舟云学术

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity

Published:2015 Issue:38 Volume:17 Page:24598-24617
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Reimers Jeffrey R.¹²³⁴⁵,McKemmish Laura K.⁶⁷⁸⁹¹⁰,McKenzie Ross H.¹¹¹²¹³,Hush Noel S.¹⁰¹⁴¹⁵¹³¹⁶

Affiliation:

1. International Centre for Quantum and Molecular Structure

2. College of Sciences

3. Shanghai University

4. Shanghai 200444

5. China

6. Department of Physics and Astronomy

7. University College London

8. London WC1E 6BT

9. UK

10. School of Chemistry

11. School of Mathematics and Physics

12. The University of Queensland

13. Australia

14. The University of Sydney

15. Sydney

16. School of Molecular Biosciences

Abstract

A way is found for describing general chemical reactions using diabatic multi-state and “twin-state” models. (Image adapted with permission from https://www.flickr.com/photos/cybaea/64638988/).

Funder

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02236C

Reference165 articles.

1. Zur Quantentheorie der Molekeln

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3. ExoMol molecular line lists V: the ro-vibrational spectra of NaCl and KCl

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