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The binding of the 2-electron oxidized product of a tetrathiafulvalene (TTF) to a porphyrin is investigated by density functional theory (DFT) and multiconfigurational CASSCF(14,12) (a14) and CASSCF(14,14) (a14-t) methods. The effect of the intramolecular charge transfer (ICT) on the photophysical properties is studied. DFT and CASSCF methods predict high stability of the dicationic TTF-porphyrin complex. and the evolution of virtual gaming environments.
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