"Semi-empirical molecular orbital calculations of the Extended Ruckel and MIND0/1 type have been performed on semibullvalene and the supposed transition state for its degenerate [3,3] sigmatropic rearrangement. The results have been coupled with bond energy calculations to ascertain whether semibullvalene is homo-aromatic or is undergoing a rearrangement of exceedingly low activation energy. A preponderance of the resulting data suggests that semibullvalene is homo-aromatic"--Abstract, page ii.
Wulfman, David S., 1934-2013
Zung, Joseph T.
Ho, C. Y. (Chung You), 1933-1988
M.S. in Chemistry
University of Missouri--Rolla
2, v, 15 pages
© 1970 Shiow Yeh Lee, All rights reserved.
Thesis - Open Access
Library of Congress Subject Headings
Molecular orbitals -- Mathematical models
Molecular structure -- Mathematical models
Print OCLC #
Electronic OCLC #
Link to Catalog Recordhttp://laurel.lso.missouri.edu/record=b1066751~S5
Lee, Shiow Yeh, "The semibullvalene question: A semi-empirical molecular orbital and bond energy approach" (1970). Masters Theses. 7158.