Ab initio conformational study of 2,2′:5′,2″-terthiophene
Autor: | Maurizio Ciofalo, Gianfranco La Manna |
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Rok vydání: | 1996 |
Předmět: | |
Zdroj: | Chemical Physics Letters. 263:73-78 |
ISSN: | 0009-2614 |
Popis: | The conformers of 2,2′:5′,2″-terthiophene were determined through ab initio MO full geometry optimization with a 6-31G * basis set. Different minima were found corresponding to twisted anti, anti, syn, anti and syn, syn structures. An estimate of the interconversion rate between conformers was performed. |
Databáze: | OpenAIRE |
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