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Dyes: quantum chemical calculation of electronic spectra

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Abstract The basics of the quantum mechanical theory of the light absorption process, the simplifications of the theory in form of models and their application to dyes are reviewed. The… Click to show full abstract

Abstract The basics of the quantum mechanical theory of the light absorption process, the simplifications of the theory in form of models and their application to dyes are reviewed. The factors governing the electronic transition energy, the intensity of the electronic transition and the vibrational fine structure of the absorption bands are examined.

Keywords: chemical calculation; quantum chemical; calculation electronic; dyes quantum; electronic spectra

Journal Title: Physical Sciences Reviews
Year Published: 2019

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