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- W2093647517 abstract "The shapes of absorption bands for polyenes, cyanine dyes, and some aromatic hydrocarbons are simulated using a combination of empirical force field for the ground state with quantum chemical calculations of excitation energies as a function of nuclear coordinates. The results are in good agreement with experimental spectra of solutions under normal conditions. Three factors of the band broadening are outlined: (1) high-frequency progression from stretch vibrations (1600-1300 cm−1); (2) low-frequency progression from bend vibrations (about 400 cm−1); and (3) inhomogeneous and rotational effects." @default.
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- W2093647517 date "1994-11-01" @default.
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- W2093647517 title "Shapes of absorption bands in solutions. Organic chromophores" @default.
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- W2093647517 doi "https://doi.org/10.1016/0166-1280(94)03731-y" @default.
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