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Infrared Spectra Simulation of Substituted Benzene Derivatives on the Basis of a 3D Structure Representation

J Schuur1, J Gasteiger

  • 1Computer-Chemie-Centrum, Institut für Organische Chemie, Universität Erlangen-Nürnberg, Nägelsbachstrasse 5, D-91052 Erlangen, Germany.

Analytical Chemistry
|June 7, 2011
PubMed

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