A molecular density functional theory approach to electron transfer reactions-Reference-Cited by-同舟云学术

A molecular density functional theory approach to electron transfer reactions

Published:2019 Issue:7 Volume:10 Page:2130-2143
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Jeanmairet Guillaume¹²³⁴⁵^ORCID,Rotenberg Benjamin¹²³⁴⁵^ORCID,Levesque Maximilien⁶⁷⁸⁹¹^ORCID,Borgis Daniel⁶⁷⁸⁹¹^ORCID,Salanne Mathieu¹²³⁴⁵^ORCID

Affiliation:

1. Sorbonne Université

2. CNRS

3. Physico-Chimie des Électrolytes et Nanosystèmes Interfaciaux

4. PHENIX

5. F-75005 Paris

6. PASTEUR

7. Département de chimie

8. École Normale Supérieure

9. PSL University

Abstract

Molecular density functional theory, an efficient computational tool, provides new insights into the study of electron transfer reactions in bulk and interfacial water.

Funder

H2020 European Research Council

Horizon 2020 Framework Programme

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SC/C8SC04512G

Reference63 articles.

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4. Reorganization free energy for electron transfers at liquid-liquid and dielectric semiconductor-liquid interfaces

5. Intramolecular long-distance electron transfer in radical anions. The effects of free energy and solvent on the reaction rates

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