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• W1985304023 abstract "A quantum-chemical calculation of the excited electronic states of a Rh. Sphaeroides reaction centre was performed. We discovered a new excited electronic state which can participate in electron transfer (ET). The energy gradient calculations showed that photoexcitation activates only high-frequency vibrational modes. This contradicts the widely accepted picture of ET resulting from vibrational wave packet motion. An alternative model is suggested where ET has a purely dissipative character and occurs only due to pigment--protein interaction. With this model, we demonstrate that oscillations in the femtosecond spectra can be caused by the new electronic state and non-Markovian character of dissipative dynamics." @default.
• W1985304023 created "2016-06-24" @default.
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• W1985304023 date "2015-02-17" @default.
• W1985304023 modified "2023-10-16" @default.
• W1985304023 title "Evidence for the purely electronic character of primary electron transfer in purple bacteria<i>Rh. Sphaeroides</i>" @default.
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• W1985304023 doi "https://doi.org/10.1080/00268976.2015.1013070" @default.
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