Date of Award
6-1979
Document Type
Open Access
Degree Name
Bachelor of Science
Department
Chemistry
Language
English
Abstract
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.
Recommended Citation
Fraser, Mark A., "Study of CNDO/2 for the Prediction of Geometries of Phosphorus-Containing Molecules" (1979). Honors Theses. 1871.
https://digitalworks.union.edu/theses/1871
Rights Statement
