Electronic Structure and Optical and Paramagnetic Properties of Macromolecules with Conjugated Bonds
- 1 September 1977
- journal article
- research article
- Published by Taylor & Francis in Journal of Macromolecular Science: Part A - Chemistry
- Vol. 11 (9) , 1701-1737
- https://doi.org/10.1080/00222337708063087
Abstract
The electronic structure and optical and paramagnetic properties of macromolecules with conjugated bonds were studied. Their electronic structures were described by use of such modern theoretical techniques as the unrestricted Hartree-Fock method based on the Hubbard Hamiltonian. Paramagnetic and optical properties were explained on the basis of this theory.Keywords
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