Date of Award
Bachelor of Science
Molecular geometries of selected, small cyclic compounds were calculated using the semi-epirical, S.C.F. molecular orbital method MINDO/3. Calculated geometries are compared with experiemental values to determine MINDO/3's effectiveness. It is found that the method has several systematic deficiencies. In Particular, carbon-oxygen single bond distances are calculated to be too short.
Felker, Peter Mark, "Calculation of Mono-Cyclic Molecular Structures using MINDO/3" (1979). Honors Theses. 1870.