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(c) Unpublished data of Wheeler et al. gives an upper estimate of the reorganization energy of ubiquinone-1 of ≈0.69 eV using hybrid Hartree-Fock/density-functional approaches with large basis sets.
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87
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21144474494
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-1 limit have been reported e.g.: Åkesson, E.; Walker, G. C.; Barbara, P. F. J. Chem. Phys. 1991, 91, 4188 Åkesson, E.; Johnson, A. E.; Levinger, N. E.; Walker, G. C.; DuBruil, T. B.; Barbara, P. F. J. Chem. Phys. 1992, 96, 7859. In the case of the inverted region from multiple vibrational states, and thus the BET rate is weakly dependent obtains for activationless processes; for a good discussion, see: Bixon, M.; Jortner, J. Chem. Phys. 1993, 176, 467.
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