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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.

Paper

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

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Corresponding authors
a
Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany
E-mail: dreuw@uni-heidelberg.de
b
Institut für Theoretische Chemie und Computerchemie, Gebäude 26.32 Raum 03.40 und 03.42, Universitätsstraße 1, 40225 Düsseldorf, Germany
E-mail: cm@theochem.uni-duesseldorf.de
Phys. Chem. Chem. Phys., 2014,16, 12393-12406

DOI: 10.1039/C4CP01232A
Received 21 Mar 2014, Accepted 01 May 2014
First published online 02 May 2014
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