Effect of isomerism, inter-ring torsion angle and chain length in structural and electronic properties of oligothiophenes: computational study
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Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) methods are employed to investigate the influence of isomerism and inter-ring torsion angle on the energetic, electronic, and structural properties of bithiophenes. Furthermore, the effect of the ... ...
