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• W1969026095 abstract "An accurate theoretical scheme for obtaining directly the Franck-Condon barrier associated with the electron self-exchange reaction from ionization potentials and electron affinities is presented. Applicability is tested using some diatomic molecular redox couples. The corresponding ionization potentials and electron affinities are obtained from the Born-Oppenheimer potential energy curves which are directly determined from the experimental vibration-rotational spectroscopic data. The Franck-Condon barriers are calculated for the electron self-exchange reactions and are also compared with those from other theoretical methods." @default.
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• W1969026095 date "1998-01-01" @default.
• W1969026095 modified "2023-09-26" @default.
• W1969026095 title "Correlation study of Franck-Condon barriers associated with electron self-exchange reactions with ionization potentials and electron affinities and experimental Born-Oppenheimer potentials" @default.
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• W1969026095 doi "https://doi.org/10.1016/s0166-1280(97)00098-5" @default.
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