Self-consistent molecular-orbital calculations on borazines
- 1 January 1966
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 235-238
- https://doi.org/10.1039/j19660000235
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.Keywords
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