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Beiträge zur Chemie der Pyrrolpigmente, 81. Mitt.: Kraftfeldrechnungen an Gallenfarbstoffen: Die Energiehyperfläche von 2,3-Dihydrobilin-1,19-dionen
Authors:Heinz Falk  Norbert Müller  Gabriele Streßler
Institution:(1) Institut für Chemie, Johannes-Kepler-Universität Linz, A-4040 Linz, Austria
Abstract:Summary The energy hypersurface of 2,3-dihydrobilin-1,19-diones is analyzed with respect to their conformational aspects using a specialized force field. Estimations of helix interconversion energies, chiral discrimination, geometries of global minima, and relative energies and geometries of diastereomeres compare favourably with available experimental data from the literature.
Keywords:2  3-Dihydrobilin-1  19-diones  Force-field calculations  Conformational analysis  Energy hypersurface
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