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A SEMIEMPIRICAL STUDY OF HETEROCYCLE OLIGOMERS AND POLYMERS IN DIFFERENT DIELECTRIC MEDIA
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
1995 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 54, no 6, 369-379 p.Article in journal (Other scientific) Published
Abstract [en]

Four common five-membered heterocycles-pyrrole, phosphole, thiophene, and furan- and their oligomers with the chain length of 2, 4, 6, and 10 units have been studied quantum chemically using the semiempirical PM3 parameterization. The oligomers of pyrrole

Place, publisher, year, edition, pages
1995. Vol. 54, no 6, 369-379 p.
Keyword [en]
ELECTRONIC-STRUCTURE; VIBRATIONAL-SPECTRA; CONDUCTING POLYMERS; THIOPHENE OLIGOMERS; CONJUGATED POLYMERS; LATTICE-DYNAMICS; POLYPYRROLE; POLYTHIOPHENE; POLYACETYLENE; MODEL
Identifiers
URN: urn:nbn:se:uu:diva-40895OAI: oai:DiVA.org:uu-40895DiVA: diva2:68796
Note
TARTU STATE UNIV, DEPT CHEM, TARTU 2400, ESTONIA. UNIV UPPSALA, QUANTUM CHEM GRP, S-75120 UPPSALA, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-16

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