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This moment of force should act in a three sphere configuration, where one sphere is held at a constant electric potential.
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Second, the other three inner-sphere configurations are higher in energy than the outer-sphere configuration.
(c) An outer-sphere configuration has a higher potential energy than either of the two inner-sphere model complexes.
When one considers that entropic factors are not included in the potential energy calculations, then the possibility that significant concentrations of the outer-sphere configuration may exist in equilibrium with the Bi(B) species must be considered.
The treecode error, CPU time and memory usage are reported and compared with direct summation for randomly distributed particles inside a cube, on the surface of a sphere and on an 8-sphere configuration.
The four inner-sphere configurations were selected to test the thermodynamic favorability of surface site types (Fig. 2a d).
After energy minimization of the periodic models, molecular clusters were extracted representative of the monodentate, bidentate binuclear, and outer-sphere configurations by selecting the three Fe-octahedra and H-bonded H2O molecules nearby the chromate of interest.
H = white, O = red, Fe = blue-gray Fig. 2 The four inner-sphere configurations (a = Mono(A), b = Mono(B), c = Bi(A) and d = Bi(B)) were constructed to test the thermodynamic favorability of surface site types.
As pointed out in the introduction, the use of the plane plane geometry will allow avoiding using the Derjaguin approximation (PFA) made for the sphere-plane configuration [14].
Although the inner-sphere bidentate configuration is predicted to have the lowest Gibbs free energy in these models, the differences between these configurations and outer-sphere associations is relatively small suggesting that a significant portion of the observed complexation could involve outer-sphere binding.
This resulted in nine (3×3 dot luminance values) sphere stimuli configurations (figure 1).
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com