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The waves are not perfectly reversible at the highest temperatures because of a slight instability of the cation radical toward deprotonation, as already noted from the effect of scan rate.8a
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34547904406
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Since the three atoms O, H, and N are not collinear, the Q coordinate is not the actual O-N distance but the sum of O-H and H-N distances that is approximatively constant upon proton displacement (see quantum mechanical calculation section).
-
Since the three atoms O, H, and N are not collinear, the Q coordinate is not the actual O-N distance but the sum of O-H and H-N distances that is approximatively constant upon proton displacement (see quantum mechanical calculation section).
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34547879396
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0 from Figure 10.
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0 from Figure 10.
-
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68
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34547881244
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The d value (d is the sum of the molecular reactant equivalent radii), 9 Å, is in agreement with the radius calculated value, 4.78 Å.
-
The d value (d is the sum of the molecular reactant equivalent radii), 9 Å, is in agreement with the radius calculated value, 4.78 Å.
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75
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34547863999
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See Figure 3 in ref 31b.
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(a) See Figure 3 in ref 31b.
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77
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34547875521
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The values of the global reorganization energy and of the degree of adiabaticity reported in refs 5 should be treated with caution since the variation of the driving force with temperature was not taken into account in the treatment of the Arrhenius plots.
-
The values of the global reorganization energy and of the degree of adiabaticity reported in refs 5 should be treated with caution since the variation of the driving force with temperature was not taken into account in the treatment of the Arrhenius plots.
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Frisch, M. J.; et al. Gaussian 98, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998.
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34547865857
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This keyword, available in Gaussian 98, requests that the molecular be computed, defined as the inside a contour of 0.001 electrons/bohr3 density
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3 density.
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