ERIC Number: EJ320319
Record Type: CIJE
Publication Date: 1985
Reference Count: 0
Electronic Structure in Pi Systems: Part I. Huckel Theory with Electron Repulsion.
Fox, Marye Anne; Matsen, F. A.
Journal of Chemical Education, v62 n5 p367-73 May 1985
Pi-CI theory is a simple, semi-empirical procedure which (like Huckel theory) treats pi and pseudo-pi orbitals; in addition, electron repulsion is explicitly included and molecular configurations are mixed. Results obtained from application of pi-CI to ethylene are superior to either the Huckel molecular orbital or valence bond theories. (JN)
Publication Type: Journal Articles; Reports - Descriptive
Education Level: N/A
Audience: Teachers; Practitioners
Authoring Institution: N/A