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Theoretica chimica acta

, Volume 27, Issue 4, pp 373–375 | Cite as

Ground states of molecules

XXIII. MINDO/2 Calculations for naphthalene
  • Michael J. S. Dewar
  • Paul Weiner
Relationes

Abstract

Detailed MINDO/2 calculations of naphthalene using the SIMPLEX minimization algorithm are reported. Comparison of results with experiment and variousπ approximations is made.The results are in good agreement with experiment.

Keywords

Physical Chemistry Inorganic Chemistry Organic Chemistry Naphthalene Minimization Algorithm 
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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Copyright information

© Springer-Verlag 1972

Authors and Affiliations

  • Michael J. S. Dewar
    • 1
  • Paul Weiner
    • 1
  1. 1.Department of ChemistryThe University of Texas at AustinAustinUSA

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