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note
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Spectra were calculated without taking into account the inhomogeneous broadening effect due to the solvent. This has no influence on the position and integrated intensity of the bands.
-
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53
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33645661802
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note
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For dimers and trimer of series II. dipole moments have not been measured.
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note
-
For calculations presented here, eight vibrational states are enough to converge results in series II. while at least 18 vibrational states are needed for calculating spectra of series I: this is due to the much greater vibrational relaxation energy for the chromophore of series I than for the chromophore of series II.
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63
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33645674212
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note
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While for spectra of products of series I, eight vibrational states are not enough, they lead to converged results for ground-state properties.
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