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A SEMIEMPIRICAL STUDY OF HETEROCYCLE OLIGOMERS AND POLYMERS IN DIFFERENT DIELECTRIC MEDIA
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- JURIMAE, T (author)
- Uppsala universitet,Institutionen för kvantkemi
- STRANDBERG, M (author)
- KARELSON, M (author)
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- CALAIS, JL (author)
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- (creator_code:org_t)
- 1995
- 1995
- English.
- In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - 0020-7608. ; 54:6, s. 369-379
- Journal article (other academic/artistic)
Abstract
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- 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
Keyword
- ELECTRONIC-STRUCTURE; VIBRATIONAL-SPECTRA; CONDUCTING POLYMERS; THIOPHENE OLIGOMERS; CONJUGATED POLYMERS; LATTICE-DYNAMICS; POLYPYRROLE; POLYTHIOPHENE; POLYACETYLENE; MODEL
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- vet (subject category)
- art (subject category)
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