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Physical Chemistry Chemical Physics

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

Paper

Voronoi dipole moments for the simulation of bulk phase vibrational spectra

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Corresponding authors
a
Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Beringstraße 4, 53115 Bonn, Germany
E-mail: martin.thomas@uni-bonn.de, kirchner@thch.uni-bonn.de
Fax: +49 228 739064
Tel: +49 228 7360439
b
Helmholtz-Zentrum für Umweltforschung Leipzig, Permoserstraße 15, 04318 Leipzig, Germany
Phys. Chem. Chem. Phys., 2015,17, 3207-3213

DOI: 10.1039/C4CP05272B
Received 13 Nov 2014, Accepted 12 Dec 2014
First published online 15 Dec 2014
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