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Theoretica chimica acta

, Volume 35, Issue 1, pp 81–87 | Cite as

FSGO calculations of octahydrotriborate anion and tetraborane

  • Jozef Bicerano
  • Arthur A. Frost
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Abstract

The FSGO quantum mechanical model is used to makeab initio calculations of the geometrical structures and energies of the ground state configurations of the octahydrotriborate anion, B3H 8 , and tetraborane, B4H10. Both molecules are assumed to belong to theC2v symmetry point group during these computations. Comparisons with available experimental data show good agreement. B4H10 calculations are also compared with results of SCF calculations.

Key words

Octahydrotriborate anion Tetraborane Floating spherical gaussian orbital (FSGO) model 

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Copyright information

© Springer-Verlag 1974

Authors and Affiliations

  • Jozef Bicerano
    • 1
  • Arthur A. Frost
    • 1
  1. 1.Department of ChemistryNorthwestern UniversityEvanstonUSA

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