Abstract | ||
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In this work we present the results of density-functional based tight-binding (DFTB) calculations on the inter-molecular interaction of the following thiophene crystals: /spl beta/-tetramethyl-quaterthiophene (TM4T), monoclinic and triclinic /spl beta/-tetra(methylsulphanyl)-quaterthiophene (TMS4T), and monoclinic and triclinic /spl beta/-tetramethyl-sexithiophene (TM6T). |
Year | DOI | Venue |
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2001 | 10.1109/IWCE.2000.869963 | Glasgow, UK |
Keywords | Field | DocType |
density functional theory,electronic structure,organic compounds,polymorphism,tight-binding calculations,/spl beta/-tetra(methylsulphanyl)-quaterthiophene,/spl beta/-tetramethyl-quaterthiophene,/spl beta/-tetramethyl-sexithiophene,TM4T,TM6T,TMS4T,conjugated organic oligomer,density functional tight binding model,electronic properties,intermolecular interactions,monoclinic crystal,structural properties,thiophene polymorphism,triclinic crystal | Monoclinic crystal system,Tight binding,Tetra,Crystallography,Electronic structure,Triclinic crystal system,Crystal,Density functional theory,Thiophene,Condensed matter physics,Physics | Journal |
Volume | Issue | ISBN |
13 | 1-4 | 0-85261-704-6 |
Citations | PageRank | References |
0 | 0.34 | 0 |
Authors | ||
4 |
Name | Order | Citations | PageRank |
---|---|---|---|
Widany, J. | 1 | 0 | 0.34 |
Daminelli, G. | 2 | 0 | 0.34 |
Di Carlo, A. | 3 | 6 | 1.71 |
Paolo Lugli | 4 | 124 | 19.26 |