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Theoretica chimica acta

, Volume 57, Issue 2, pp 107–130 | Cite as

SINDO1 II. Application to ground states of molecules containing carbon, nitrogen and oxygen atoms

  • Karl Jug
  • D. N. Nanda
Original Investigations

Abstract

Molecular geometries, binding energies, ionization potentials and dipole moments are calculated by the SINDO1 method for a large number of molecules containing C, N and O atoms. Comparison is made with MINDO/3, MNDO and where possible with STO-3G results. The explicit data and an error statistics show the relative merits of SINDO1.

Key words

Application of SINDO1 to ground states of molecules Containing C, N, O 

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Copyright information

© Springer-Verlag 1980

Authors and Affiliations

  • Karl Jug
    • 1
  • D. N. Nanda
    • 1
  1. 1.Theoretische ChemieUniversität HannoverHannoverFederal Republic of Germany

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