A genetic algorithm based determination of the ground and excited (1Lb) state structure and the orientation of the transition dipole moment of benzimidazole†
Abstract
The structure of
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* Corresponding authors
a
Heinrich-Heine-Universität, Institut für Physikalische Chemie, Düsseldorf, Germany
E-mail:
mschmitt@uni-duesseldorf.de
Fax: +49 211 81 15195
Tel: +49 211 81 13691
b
Molecular and Biophysics Group, Institute for Molecules and Materials, Radboud University Nijmegen, P.O. Box 9010, Nijmegen, The Netherlands
E-mail:
Leo.Meerts@sci.kun.nl
Fax: +33 24 356 3311
Tel: +33 24 365 3023
The structure of
M. Schmitt, D. Krügler, M. Böhm, C. Ratzer, V. Bednarska, I. Kalkman and W. Leo Meerts, Phys. Chem. Chem. Phys., 2006, 8, 228 DOI: 10.1039/B512686J
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