Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compounds-Reference-Cited by-同舟云学术

Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compounds

Published:2015 Issue:46 Volume:17 Page:30889-30903
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mangaud E.¹²³⁴⁵,de la Lande A.⁶⁷⁸⁹¹⁰,Meier C.¹²³⁴⁵,Desouter-Lecomte M.⁶⁷⁸⁹¹⁰

Affiliation:

1. Laboratoire Collisions Agrégats Réactivité

2. UMR 5589

3. IRSAMC

4. Université Toulouse III Paul Sabatier

5. Toulouse

6. Laboratoire de Chimie Physique

7. UMR 8000

8. Université Paris-Sud

9. F-91405 Orsay

10. France

Abstract

Dissipative quantum dynamics of CT in mixed-valence compounds is studied using a reaction path model calibrated by cDFT calculations.

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/C5CP01194A

Reference108 articles.

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5. Energy Transfer Dynamics in Biomaterial Systems, ed. I. Burghardt, V. May, D. A. Micha and E. R. Bittner, Springer Berlin Heidelberg, Berlin, Heidelberg, 2009, vol. 93

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