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1 r and acceptor occurs (the crossing point in Marcus theory).
2 e dependence can be rationalized in terms of Marcus theory.
3 deviate from the predictions of the classic Marcus theory.
4 c coupling between units is determined using Marcus theory.
5 t higher driving forces, as predicted by the Marcus theory.
6 ted significantly from expectations based on Marcus theory.
7 ed by the statistical Rice-Ramsperger-Kassel-Marcus theory.
8 ds is a function of DeltapK, as predicted by Marcus theory.
9 consistent with the application of adiabatic Marcus theory.
10 using a combination of DFT computations and Marcus theory.
11 rate are consistent with the predictions of Marcus theory.
12 ctivation energies are reliably described by Marcus theory.
13 thermodynamics termed the inverted region in Marcus theory.
14 the six preferred side chain rotamers using Marcus theory.
15 T)-F12, DF-LCCSD(T)-F12, DLPNO-CCSD(T)], and Marcus theory.
16 taG degrees dependence which is predicted by Marcus theory.
17 ent manner which could be rationalized using Marcus theory.
18 g ab initio multiconfigurational methods and Marcus theory.
19 rgy are calculated by Rice-Ramsperger-Kassel-Marcus theory.
20 onship, analyzed within the framework of the Marcus theory.
21 dation of Li(2)O(2) to LiO(2), which follows Marcus theory.
22 eactions involving metal hydrides can follow Marcus theory.
23 odeled with the RRKM (Rice-Ramsperger-Kassel-Marcus) theory.
24 est unoccupied molecular orbital (E(LUMO)) < Marcus theory activation free energies (DeltaG(*)) ~ gas
26 energy transfer rates obtained based on the Marcus theory and first-principles calculations show goo
27 the linear solvent response approximation in Marcus theory and indicates that evolution has optimized
28 These results were rationalized in terms of Marcus theory and show that solvent and counterion both
29 principle of nonperfect synchronization and Marcus theory and suggest that the observed bimodal beha
30 The mechanism is discussed in terms of the Marcus theory and the specific protonation/deprotonation
31 ize k, the sum of the SF rates obtained from Marcus theory, and this reorders the suitable geometries
32 two complementary theoretical extensions of Marcus theory applying to those cases, based either on a
33 nd examine the suitability of semi-classical Marcus theory as a description of charge transport in mo
34 ic hydricity descriptor and firmly establish Marcus theory as a valid approach to develop kinetic des
35 y band offset is found to be consistent with Marcus theory, as long as one performs a sum over final
36 n transfer compared to the prediction of the Marcus theory, bringing the rate to the experimentally e
37 ge generation in such blends does not follow Marcus theory but can rather be considered an adiabatic
40 We experimentally studied and modelled with Marcus Theory charge transfer to cobalt complexes that h
41 dels ranging from Arrhenius to semiclassical Marcus theory, combined with computational modeling and
42 he few-parameter rate constant expression of Marcus theory explains both individual and comparative f
45 nt developments in chemical reaction theory (Marcus theory for SN2 reactions), and protein dynamics e
47 n mechanism by the cobalt electrolyte in the Marcus theory framework led to substantially different r
49 dence of the rate constants to semiclassical Marcus theory gave lambda of 0.39 eV and 0.11 eV for the
53 ch is consistent with the rates predicted by Marcus theory in the normal region, at moderate electron
54 led that the LFERs could be reproduced using Marcus theory, in which the H(-) self-exchange rates for
56 ATP hydrolysis) was found to be described by Marcus theory, indicating that electron transfer was rat
57 acterization of the pathways on the basis of Marcus theory is consistent with the poor observed utili
63 analysis of the kinetic data in light of the Marcus theory of electron transfer revealed that small r
64 a charge-hopping mechanism described by the Marcus theory of electron transfer to calculate charge-t
72 ctions are often highly exergonic, for which Marcus theory predicts reduced electron-transfer rates b
74 ets are thus well described by semiclassical Marcus theory, providing a strong validation of the use
77 tion dynamics are well described by vibronic Marcus theory, spanning the normal and inverted regions
78 lectron transfer reaction did not conform to Marcus theory, suggesting that an adiabatic event associ
79 shown to vary with the chirality-associated Marcus theory, suggesting that the energy gaps between S
80 ompared to that predicted from semiclassical Marcus theory, supports a charge transfer process that i
81 erimental approach with an analysis based on Marcus theory that provides the electronic coupling, H(a
84 ions are concerted, which enables the use of Marcus theory to analyze hydride transfer reactions invo
94 y barriers, determined in solution using the Marcus theory, were applied to develop a quick yet accur
95 constant was also studied in the context of Marcus theory, where DeltaG degrees was 39.31-51.48 kJ m
96 This is further supported by a variant of Marcus theory, which predicts that the energy offsets be
97 used to constrain a model based on classical Marcus theory, which provided physically reasonable fits
98 -fit by a parabola generated using classical Marcus theory with a reorganization energy of 0.67 eV.
101 Analysis of the reaction of the N-quinol by Marcus theory yielded an H(AB) which exceeded the nonadi