Issue 0, 1966

Self-consistent molecular-orbital calculations on borazines

Abstract

Calculations are presented of the positions of the electronic absorption bands in borazine and some substituted borazines using a semi-empirical method with a fixed set of starting data. The results agree quite well with experiment. The effects of substitution at boron or nitrogen on the π-electron distribution are discussed.

Article information

Article type
Paper

J. Chem. Soc. A, 1966, 235-238

Self-consistent molecular-orbital calculations on borazines

P. G. Perkins and D. H. Wall, J. Chem. Soc. A, 1966, 235 DOI: 10.1039/J19660000235

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