
%0 Journal Article
%A Christie, JR 
%A Selinger, B 
%T Molecular orbital calculations for sulphur-nitrogen heterocycles. I. The 3-hydroxyisothiazole system
%J Australian Journal of Chemistry
%D 1968/05/01
%V 21
%N 5
%P 1113-1123
%K 
%R https://doi.org/10.1071/CH9681113
%U https://www.publish.csiro.au/paper/CH9681113 
%X LCAO-SCF calculations of various types have been performed for 3-hydroxy-isothiazole and related species. A perturbation analysis has shown that the values assigned to some of the semi-empirical parameters affect the results to a greater extent than has been supposed. Some of the chemical properties can be rationalized on the basis of these calculations. 
