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Original potential

Grubmiiller described a method to induce conformational transitions in proteins and derived rate constants for these ([Grubmiiller 1994]). The method employs subsequent modifications of the original potential function based on a principal component analysis of a short MD simulation. It is discussed in more detail in the chapter of Eichinger et al. in this volume. [Pg.74]

The moments of transition time of a dynamical system driven by noise, described by arbitrary potential cp(x) such that cp( oo) = oo, symmetric relatively to some point x = d, with initial delta-shaped distribution, located at the point xo < d [Fig. A 1(a)], coincides with the corresponding moments of the first passage time for the same potential, having an absorbing boundary at the point of symmetry of the original potential profile [Fig. A 1(b)]. [Pg.432]

Keywords potential controlled flotation potential modifier original potential original potential control flotation (OPCF)... [Pg.244]

Lower original potential in grinding is beneficial to flotation selectivity of galena. Thus, collectors should be added into the mill directly. Table 10.12 is the results of flotation separation of Beishan concentrator of PbS-ZnS ore for collector addition in different places. It shows that the recovery and grade of galena concentrate are improved obviously when collectors are added in mill compared to in agitator. [Pg.261]

Gu Guohua, 1998. Redox reaction in grinding and flotation system of sulphide minerals and original potential flotation (Ph.D Thesis). Central South University of Technology (in... [Pg.274]

Figure 1 Schematic illustration of the hyperdynamics method. A bias potential (AV(r)) is added to the original potential (V(r), solid line). Provided that AV(r) meets certain conditions, primarily that it be zero at the dividing surfaces between states, a trajectory on the biased potential surface (V(r) + AV(r), dashed line) escapes more rapidly from each state without corrupting the relative escape probabilities. The accelerated time is estimated as the simulation proceeds. Figure 1 Schematic illustration of the hyperdynamics method. A bias potential (AV(r)) is added to the original potential (V(r), solid line). Provided that AV(r) meets certain conditions, primarily that it be zero at the dividing surfaces between states, a trajectory on the biased potential surface (V(r) + AV(r), dashed line) escapes more rapidly from each state without corrupting the relative escape probabilities. The accelerated time is estimated as the simulation proceeds.
Thus, the state-to-state dynamics on the biased potential is equivalent to that on the original potential as long as the time is renormalized to account for the uniform relative increase of all the rates introduced by the biased potential. This renormalization is in practice obtained by multiplying the MD timestep AImd by the inverse Boltzmann factor for the bias potential, so that n MD timesteps on the biased potential are equivalent to an elapsed time of... [Pg.84]

If the photoanode is not connected to the counterelectrode, then current cannot flow, and instead the potential of the photoanode (the Fermi level) rises until balanced by recombination of the photogenerated charges (Fig. 9.6b). The difference between this potential under illumination and the original potential (more correctly, the potential of the counterelectrode, which ideally is equal to that of the nonilluminated photoelectrode) is the open-circuit voltage (Voc) of the cell. [Pg.334]

Electrooxidation of the pyrrole unit results in the formation of a pyrrole polymer that coats the electrode surface as it is formed. The amount of polymer deposited can be controlled by the number of CV cycles into the pyrrole oxidation wave. With 30, thick polymer layers give broad CV waves in the quinone voltage region, but thinner layers produce a well-resolved wave for the quinone 0/—1 reduction, which is reasonably stable when the electrodes are placed into fresh electrolyte solution with no 30. As in solution, addition of different urea derivatives causes this wave to shift positive. The relative magnitude of the shifts mirror that seen in solution. Furthermore, the 2 moves back to the original potential when the derivatized electrode is put back into a blank solution containing no urea. [Pg.24]

Harper DB, Kalin RM, Hamilton JTG, Lamb C (2001) Carbon Isotope Ratios for Chloromethane of Biological Origin Potential Tool in Determining Biological Emissions. Environ Sci Technol 35 3616... [Pg.390]


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See also in sourсe #XX -- [ Pg.244 , Pg.258 , Pg.259 , Pg.261 , Pg.274 ]




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