ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The π-electronic properties of furan, oxazole, benzofuran, benzoxazole, anthranil, and dibenzofuran are calculated by the semiempirical self-consistent-field molecular orbital method. A single set of parameters is found which satisfactorily reproduces the π → π* electronic transition energies and other π-electronic properties.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560030107