First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions-Reference-Cited by-同舟云学术

First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions

Published:2018 Issue:9 Volume:20 Page:6121-6133
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Valiev R. R.¹²³⁴⁵^ORCID,Cherepanov V. N.¹²³,Baryshnikov G. V.¹²³⁶⁷^ORCID,Sundholm D.⁴⁵⁸⁹^ORCID

Affiliation:

1. Tomsk State University

2. Tomsk

3. Russia

4. Department of Chemistry

5. University of Helsinki

6. Division of Theoretical Chemistry and Biology

7. School of Biotechnology

8. FI-00014 Helsinki

9. Finland

Abstract

A method for calculating the rate constants for internal-conversion (k_IC) and intersystem-crossing (k_ISC) processes within the adiabatic and Franck–Condon (FC) approximations is proposed.

Funder

Russian Science Foundation

Academy of Finland

Magnus Ehrnroothin Säätiö

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP08703A

Reference69 articles.

1. Compartmental modeling and identifiability analysis in photophysics: Review

2. Spin−Orbit Coupling and Intersystem Crossing in Conjugated Polymers: A Configuration Interaction Description

3. Principles of phosphorescent organic light emitting devices

4. The triplet state of organo-transition metal compounds. Triplet harvesting and singlet harvesting for efficient OLEDs

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