Torsional effects on excitation energies
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M. Piacenza; F. Della Sala; E. Fabiano; T. Maiolo; G. Gigli
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Article
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2007
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John Wiley and Sons
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English
β 244 KB
## Abstract The influence of methyl or phenyl substitution in Ξ²βposition of dioxygenated terthiophene and diphenylthiophene on the optical properties is investigated by firstβprinciples calculations. We compare the approximated singles and doubles coupled cluster (CC2) approach with timeβdependent