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Theoretica chimica acta

, Volume 72, Issue 5–6, pp 373–378 | Cite as

Treatment of anions in SINDO1

  • Rüdiger Iffert
  • Karl Jug
Methodology

Abstract

The SINDO1 method is modified to include the calculation of molecular anions. Two versions of modifications are presented which are based on charge dependent orbital exponents. Calculated heats of formation and electron affinities are much improved compared to the standard version with fixed orbital exponents.

Key words

Molecular anions Charge dependent exponents 

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Copyright information

© Springer-Verlag 1987

Authors and Affiliations

  • Rüdiger Iffert
    • 1
  • Karl Jug
    • 1
  1. 1.Theoretische ChemieUniversität HannoverHannover 1Federal Republic of Germany

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