https://www.selleckchem.com/pr....oducts/17-AAG(Geldan
The non-adiabatic dynamics of furan excited in the ππ* state (S2 in the Franck-Condon geometry) was studied using non-adiabatic molecular dynamics simulations in connection with an ensemble density functional method. The time-resolved photoelectron spectra were theoretically simulated in a wide range of electron binding energies that covered the valence as well as the core electrons. The dynamics of the decay (rise) of the photoelectron signal were compared with the excited-state population dynamics. It was observed that th
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