Date of Award
Bachelor of Science
The method of CNDO/2 is presently being used to study the mechanisms of hydrolysis of phosphate esters. The question, therefore, arises whether or not CNDO/2 can accurately predict the geometries of phosphorus containing molecules. Using an optimizer adapted from the method of Rosenbrock, 41 compounds were tested.
Fraser, Mark A., "Study of CNDO/2 for the Prediction of Geometries of Phosphorus-Containing Molecules" (1979). Honors Theses. 1871.