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- W1981019729 abstract "We examine the effects of solvation on chromophores using a simple self-consistent reaction field (SCRF) model. In this model a SCRF self-consistent field calculation is followed by configuration interaction to generate excited states in the presence of a dielectric continuum. The absorption process is considered instantaneous, and only the electron polarization of the solvent is allowed to respond to the excited-state charge distribution. This model is then applied to a variety of molecules in «solution» using the intermediate neglect of differential overlap (INDO/S) model Hamiltonian. The model reproduces very well the shifts observed in aprotic solvents" @default.
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- W1981019729 date "1992-08-01" @default.
- W1981019729 modified "2023-10-01" @default.
- W1981019729 title "Theoretical treatment of solvent effects on electronic spectroscopy" @default.
- W1981019729 doi "https://doi.org/10.1021/j100196a019" @default.
- W1981019729 hasPublicationYear "1992" @default.
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