Issue 0, 1972

Simple molecular orbital calculations on tetrahalogenoaluminate ions

Abstract

Calculations of the sum of 1-electron energies for a number of configurations of ions AlClnBr4–n indicate that bending force-constants derived from this parameter can agree with experimental values to within a factor of ca. 5.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1972,68, 1665-1671

Simple molecular orbital calculations on tetrahalogenoaluminate ions

R. M. Canadine and D. E. H. Jones, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 1665 DOI: 10.1039/F29726801665

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