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Paper

A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails

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a
Normandie Université, COBRA, UMR6014 and FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont-Saint-Aignan Cedex, France
E-mail: vincent.tognetti@univ-rouen.fr
b
Université de Lyon, Institut des Sciences Analytiques, UMR 5280 CNRS, Université Lyon1, 5 rue de la Doua, 69100 Villeurbanne, France
E-mail: christophe.morell@univ-lyon1.fr
c
Department of Chemistry, McMaster University, Hamilton, Canada
Phys. Chem. Chem. Phys., 2013,15, 14465-14475

DOI: 10.1039/C3CP51169C
Received 17 Mar 2013, Accepted 30 May 2013
First published online 31 May 2013
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