On the molecular mechanism of non-radiative decay of nitrobenzene and the unforeseen challenges this simple molecule holds for electronic structure theory-Reference-Cited by-同舟云学术

On the molecular mechanism of non-radiative decay of nitrobenzene and the unforeseen challenges this simple molecule holds for electronic structure theory

Published:2014 Issue:24 Volume:16 Page:12393-12406
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mewes Jan-M.¹²³,Jovanović Vladimir⁴⁵⁶,Marian Christel M.⁴⁵⁶,Dreuw Andreas¹²³

Affiliation:

1. Interdisciplinary Center for Scientific Computing

2. Ruprecht-Karls University

3. 69120 Heidelberg, Germany

4. Institut für Theoretische Chemie und Computerchemie

5. Gebäude 26.32 Raum 03.40 und 03.42

6. 40225 Düsseldorf, Germany

Abstract

We present a complete mechanistic picture of the non-radiative relaxation of nitrobenzene via IC and ISC along three internal coordinates.

Funder

Deutsche Forschungsgemeinschaft

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/C4CP01232A

Reference34 articles.

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5. Nonradiative Relaxation Processes and Electronically Excited States of Nitrobenzene Studied by Picosecond Time-Resolved Transient Grating Method

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