
TY  - JOUR
A1  - Christie, JR 
A1  - Selinger, B 
T1  - Molecular orbital calculations for sulphur-nitrogen heterocycles. I. The 3-hydroxyisothiazole system
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1968
VL  - 21
IS  - 5
SP  - 1113
EP  - 1123
KW  - 
UR  - https://doi.org/10.1071/CH9681113 
N2  - 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. 
ER  -

