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Groups, Graphs and Isomers

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Software Development in Chemistry 5

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Abstract

A system for the generation and graphical presentation of all connectivity isomers of a given empirical formula is presented. It refines the well-known DENDRAL approach and is based on a catalogue of nearly a Million cyclic structures. The graphics component can be used independently and is oriented at modern standards. The system runs on any modern Unix-workstation.

This research was supported by the Deutsche Forschungsgemeinschaft under Ke 201–11/2

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Author information

Authors and Affiliations

  1. Lehrstuhl II für Mathematik, Universität Bayreuth, Postfach 101251, W-8580, Bayreuth, Deutschland

    R. Grund, R. Hager, F. Herrmann, A. Kerber, R. Laue & W. Weber

Authors
  1. R. Grund
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  2. R. Hager
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  3. F. Herrmann
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  4. A. Kerber
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  5. R. Laue
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  6. W. Weber
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Editor information

Editors and Affiliations

  1. Technische Chemie (FB9), Universität Oldenburg, Ammerländer Heerstrasse 114-118, W-2900, Oldenburg, Germany

    Jürgen Gmehling

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© 1991 Springer-Verlag Berlin Heidelberg

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Grund, R., Hager, R., Herrmann, F., Kerber, A., Laue, R., Weber, W. (1991). Groups, Graphs and Isomers. In: Gmehling, J. (eds) Software Development in Chemistry 5. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-76325-0_12

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  • DOI: https://doi.org/10.1007/978-3-642-76325-0_12

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-53532-4

  • Online ISBN: 978-3-642-76325-0

  • eBook Packages: Springer Book Archive

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