Date of Award
6-1979
Document Type
Open Access
Degree Name
Bachelor of Science
Department
Chemistry
Language
English
Abstract
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.
Recommended Citation
Felker, Peter Mark, "Calculation of Mono-Cyclic Molecular Structures using MINDO/3" (1979). Honors Theses. 1870.
https://digitalworks.union.edu/theses/1870
Rights Statement
