Title
Density-functional based tight-binding calculations on thiophene polymorphism
Abstract
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
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.100.34
Daminelli, G.200.34
Di Carlo, A.361.71
Paolo Lugli412419.26