M. Tajima, M. Honda
Jun 1, 1987
Citations
0
Influential Citations
2
Citations
Journal
Journal of Molecular Structure-theochem
Abstract
Abstract The relationship between the structural change and the proton elimination on the oxidation of 1,3-propanedithiol has been studied by means of a semi-empirical MNDO method. The structure of chemical species in the oxidation process have been optimized. The results indicate that the proton elimination from the dithiol plays an important role in the structural change inherent in the oxidation.