Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution-Reference-Cited by-同舟云学术

Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution

Published:2014 Issue:38 Volume:16 Page:20624-20638
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Piacente Giovanni¹²,Amadei Andrea³⁴,D'Abramo Marco⁵⁶,Daidone Isabella¹²,Aschi Massimiliano¹²

Affiliation:

1. Dipartimento di Scienze Fisiche e Chimiche Universita' di l'Aquila

2. Via Vetoio s.n.c. 87100 l'Aquila, Italy

3. Dipartimento di Scienze e Tecnologie Chimiche Universita' di Roma ‘Tor Vergata’

4. Via della Ricerca Scientifica 00100 Roma, Italy

5. Dipartimento di Chimica Universita' di Roma ‘La Sapienza’

6. 00185 Roma, Italy

Abstract

A computational approach, based on molecular dynamics simulations and quantum-chemical calculations, is proposed for modelling the photo-induced charge separation and the kinetics of the subsequent charge recombination (CR) processes in solution.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP02422B

Reference86 articles.

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