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Minima at the S1 adiabatic potential energy surface of: (a, b) thiophene, (c) thienothiophene, and (d) dithienothiophene. We report the vertical excitation energies (in parentheses), the dominant orbital excitations at given geometry (denoted by red and blue circles as in Figures 2 and 3), and the relevant dihedral angles. δCCCC of dithienothiophene denotes the dihedral angle between the middle and the side ring. The cc-pVTZ basis set was used.
