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4
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Elektronenübertragung zwischen Metallkomplexen – ein Rückblick (Nobel-Vortrag)
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Taube, H.1
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Mechanisms of Electron Transfer Reactions: The Bridged Activated Complex
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Haim, A.1
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0000653613
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Long-Range Electron Transfer in Peptides and Proteins
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Systematic studies on synthetic oligopeptides are described in
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Isied, S.S.1
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110
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84989501447
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In fact, two different ways to partition the full Hamiltonian into zerothorder and perturbation parts for reactants and products each are presumed to exist [1, 5, 26].
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112
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0000354626
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The direct simulation of FESs far from the minima of reactants or products turns out to be impracticable. Instead, a free energy perturbation approach must be used as described in
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King, G.1
Warshel, A.2
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84989560875
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A difficult question is whether the equilibrium averaging in equation (3) of the solvent configuration (X) remains meaningful even in a dynamic process far from equilibrium. Eventually, nonequilibrium dynamics has to be treated explicitly on higher dimensional (free) energy surfaces, for example, along the lines of Section 4.
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122
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84989560366
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2〉, where the brackets 〈〉 indicate equilibrium averages [95].
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130
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84989556889
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1z differing from equation (7) by factors of 2, π/2, √π/2 etc.
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131
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84989560397
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1z to the overall transition probability P for a successful reaction.
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142
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2542566495
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Practically all analytical results in quantum‐mechanical ET theory were derived only for reactions with a negligible entropy change. In applications, however, entropy effects are included in rate expressions by simply substituting free energies for ordinary energies. For equation (8) this substitution is discussed in,. In general, this procedure is only justified by the lack of alternatives. In simulations, free energies enter in a more natural way [55]
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Marcus, R.A.1
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143
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84989569397
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lz). See for example, [1]
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145
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84989542889
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Yet, the LZ transition probability is only valid between one‐dimensional PESs. Its application to FESs must be seen in the spirit of the remark in [109].
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159
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84989581033
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A valuable collection of articles on Kramers's and related problems can be found in
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162
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84989514667
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This back scattering is classical and unrelated to quantum‐mechanical resonance and coherence phenomena in barrier‐crossing problems. Although such effects have been discussed in connection with friction [40], they should be limited to very special cases unlikely to be encountered in systems of interest here.
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