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Paper

Aza-boron-dipyrromethene dyes: TD-DFT benchmarks, spectral analysis and design of original near-IR structures

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a
Université de Lyon, CNRS, Institut de Chimie de Lyon, Ecole Normale Supérieure de Lyon, 15 Parvis René Descartes, 69342 Lyon Cedex 07, France
b
Laboratoire des Sciences Chimiques de Rennes, UMR 6226 CNRS-Université de Rennes 1, 35042 Rennes Cedex, France
E-mail: boris.leguennic@univ-rennes1.fr
c
Chimie Et Interdisciplinarité, Synthèse, Analyse, Modélisation (CEISAM), UMR CNRS 6230, BP 92208, Université de Nantes, 2, Rue de la Houssinière, 44322 Nantes Cedex 3, France
E-mail: denis.jacquemin@univ-nantes.fr
Phys. Chem. Chem. Phys., 2012,14, 157-164

DOI: 10.1039/C1CP22396H
Received 24 Jul 2011, Accepted 17 Oct 2011
First published online 08 Nov 2011
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