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:
In this paper we investigate the electronic structure and the static longitudinal polarizability of regular finite and infinite chains of polythiophene at the ab Initio Hartree-Fock level. The effects of the inclusion of polarization functions in the basis set and the influence of introducing a torsional twist between adjacent rings are considered. © 1994 John Wiley & Sons, Inc.
Additional Material:
7 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560520842