Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems-Reference-Cited by-同舟云学术

Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems

Published:2018 Issue:49 Volume:8 Page:27900-27918
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Amadei Andrea¹²³⁴,Aschi Massimiliano⁵⁶⁷⁴^ORCID

Affiliation:

1. Dipartimento di Scienze e Tecnologie Chimiche

2. Universita' di Roma ‘Tor Vergata’

3. Roma

4. Italy

5. Dipartimento di Scienze Fisiche e Chimiche

6. Universita' di L'Aquila

7. L'Aquila

Abstract

A theoretical-computational procedure, based on Molecular Dynamics simulations, is proposed for modelling the kinetics of non-adiabatic processes in very complex systems.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C8RA03900C

Reference93 articles.

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3. Ab Initio Nonadiabatic Quantum Molecular Dynamics

4. G. J.Kavarnos , Fundamentals of photoinduced electron transfer , VCH , New York , 1993

5. Photoinduced Electron Transfer Parts A–D , ed. M. A. Fox and M. Chanon , Elsevier , Amsterdam , 1988

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