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PETRA: Software Package for the Calculation of Electronic and Thermochemical Properties of Organic Molecules

  • Peter Löw
  • H. Saller

Abstract

The progress in the field of chemistry as a scientific discipline, especially in this century, has consisted in setting up models, concepts and rules so as to create order and understanding for the enormous amount of chemical observations and factknowledge regarding connectivity and reactions.

Keywords

Organic Molecule Quantitative Structure Activity Relationship Proton Affinity Bond Dissociation Energy Quantitative Structure Activity Relationship 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. 1.
    J. Gasteiger, M.G. Hutchings, B. Christoph, L. Gann, C. Hiller, P. Löw, M. Marsili, H. Sailer and K. Yuki, Topics Curr. Chem., 137, 19 (1987).Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1988

Authors and Affiliations

  • Peter Löw
    • 1
  • H. Saller
    • 1
  1. 1.Chemodata Computer-ChemieGröbenzellFederal Republic of Germany

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