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Volumn 35, Issue 3, 2002, Pages 1109-1115
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A time-dependent DFT study on band gaps and effective conjugation lengths of polyacetylene, polyphenylene, polypentafulvene, polycyclopentadiene, polypyrrole, polyfuran, polysilole, polyphosphole, and polythiophene
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Author keywords
[No Author keywords available]
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Indexed keywords
CHAIN LENGTH DEPENDENCE;
POLYCYCLOPENTADIENE;
POLYPENTAFULVENE;
POLYPHENYLENE;
POLYPHOSPHOLE;
POLYSILOLE;
POLYTHIOPHENE;
TIME DEPENDENT DENSITY FUNCTIONAL THEORY;
ELECTRONIC STRUCTURE;
ENERGY GAP;
EXTRAPOLATION;
POLYACETYLENES;
POLYPYRROLES;
PROBABILITY DENSITY FUNCTION;
OLIGOMERS;
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EID: 0037192296
PISSN: 00249297
EISSN: None
Source Type: Journal
DOI: 10.1021/ma011279m Document Type: Article |
Times cited : (225)
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References (37)
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