Issue 9, 1971

Ab initio molecular orbital calculations of the electronic structure of fluorosilane and fluorogermane

Abstract

The role of valence shell d orbitals in the description of the bonding in fluorosilane and fluorogermane is investigated, and shown by the results of non-empirical SCF calculations to be essentially that of polarisation functions.

Article information

Article type
Paper

J. Chem. Soc. D, 1971, 445-446

Ab initio molecular orbital calculations of the electronic structure of fluorosilane and fluorogermane

A. Breeze, G. A. D. Collins and D. W. J. Cruickshank, J. Chem. Soc. D, 1971, 445 DOI: 10.1039/C29710000445

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