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From this study a low activation barrier was observed, suggesting a small reorganization energy during the ET process.
These small changes upon reduction are consistent with data from crystallography and suggest a small reorganization energy for the redox process.
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A reason for this includes a smaller reorganization energy when the proton can be delocalized over several water molecules in a Grotthus-type mechanism.
These results clearly show that a combination of multistep ET strategy with small reorganization energies of fullerenes is a promising methodology toward the construction of a solar energy conversion system.
Geometries of substrates or substrate analogues in the complexes studied here approximate expected ground-state structures that could undergo direct hydrogen transfer after small reorganization that yields a tunneling-ready state with a calculated DAD of 3.2 Å or closer to 2.7 Å for a calculated transition state.
Residues targeted for phosphorylation are generally in close proximity (between 9 and 12 Å) to the catalytic aspartate in nonphosphorylated segments, and only a small local reorganization would be sufficient to arrange these residues in positions competent for phosphoryl transfer.
The overall small reorganization energy and the well-balanced electronic coupling between each component bear key characters for the unique efficiency of natural photosynthesis.
It may be explained by the small reorganization energy in C60 compared with that in conventional planar aromatic acceptors, as we have already proposed.
Tetracenes and their derivatives are widely used in organic semiconductors for the advantages of small reorganization energies and large electronic couplings.
In some of the reported donor acceptor conjugates, the predicted acceleration of the charge separation process and deceleration of the charge recombination process have been clearly observed, mainly due to the small reorganization energies of fullerenes in electron transfer reactions.
Here, we report a simple analytical approximation of the MHC integral that interpolates between exact asymptotic limits for large overpotentials, as well as for large or small reorganization energies, and exhibits less than 5% relative error for all reasonable parameter values.
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