Potential model for

The parameters in simple potential models for interactions between unlike molecules A and B are often deduced from tlie corresponding parameters for the A-A and B-B interactions using combination mles . For example, the a and e parameters are often estimated from the Lorentz-Berthelot mles ... 

Otherwise it has been shown that the accumulation of electrolytes by many cells runs at the expense of cellular energy and is in no sense an equilibrium condition 113) and that the use of equilibrium thermodynamic equations (e.g., the Nemst-equation) is not allowed in systems with appreciable leaks which indicate a kinetic steady-state 114). In addition, a superposition of partial current-voltage curves was used to explain the excitability of biological membranes112 . In interdisciplinary research the adaptation of a successful theory developed in a neighboring discipline may be beneficial, thus an attempt will be made here, to use the mixed potential model for ion-selective membranes also in the context of biomembrane surfaces. 

Fig. 5. Tentative mixed potential model for the sodium-potassium pump in biological membranes the vertical lines symbolyze the surface of the ATP-ase and at the same time the ordinate of the virtual current-voltage curves on either side resulting in different Evans-diagrams. The scale of the absolute potential difference between the ATP-ase and the solution phase is indicated in the upper left comer of the figure. On each side of the enzyme a mixed potential (= circle) between Na+, K+ and also other ions (i.e. Ca2+ ) is established, resulting in a transmembrane potential of around — 60 mV. This number is not essential it is also possible that this value is established by a passive diffusion of mainly K+-ions out of the cell at a different location. This would mean that the electric field across the cell-membranes is not uniformly distributed.

The solidus, the liquidus, the oxygen-potential model for the solid Pu/0 system, and the oxygen-potential model for the liquid Pu/0 system each depend upon the temperature and composition. Because the oxygen-potential model has a greater effect on the vapor pressure and composition at high temperature than do the solidus and liquidus, we have fixed the functional forms and the parameter values for the oxygen-potential model. We choose the IAEA solidus (32) and determine the liquidus that is consistent with it and with the two parts of the oxygen-potential model. The calculated liquidus, which is based on the liquid model parameters, is very close to the IAEA liquidus (33). 

The formulas derived in the time-independent framework can be easily transferred into the corresponding time-dependent solutions. The formulas in the time-independent linear potential model, for example, provide the formulas in the time-dependent quadratic potential model in which the two time-dependent diabatic quadratic potentials are coupled by a constant diabatic coupling [1, 13, 147]. The classically forbidden transitions in the time-independent framework correspond to the diabatically avoided crossing case in the time-dependent framework. One more thing to note is that the nonadiabatic tunneling (NT) type of transition does not show up and only the LZ type appears in the time-dependent problems, since time is unidirectional. 

In keeping with the anisotropic electrostatic potential model for the halogen atoms, halogens show an amphiphilic character and can work both as the electrophilic sites and the nucleophilic sites when involved in short contacts (Fig. 3). 

Ojamae L, Shavitt I, Singer SJ (1998) Potential models for simulations of the solvated proton in water. J Chem Phys 109(13) 5547-5564... 

Gregoire, L., Munkarah, A., Rabah, R., Morris, R. T., Lancaster, W. D. (1998). Organotypic culture of human ovarian surface epithelial cells a potential model for ovarian carcinogenesis. In vitro Cell Dev-An 34(8), 636-639. 

Figure 2.7 Electrostatic potential models for acetone molecules that show how acetone molecules might align according to attractions of their partially positive regions and partially negative regions (dipole-dipole interactions).

Ni(I), of course, is not known as a stable, naturally occurring entity. Epelboin et al. conjectured that it may exist on the surface in a more or less solvated state, and possibly complexed, perhaps as NiOHa(is [72], It is not clear what the concentration of Ni ds is likely to be on the surface, other than that likely to be associated with a propagating kink site. If a Ni.[ds species is involved in the anodic processes in electroless deposition as suggested by Touhami et al. [71], this accounts in substantial part for the interdependence between the anodic and cathodic processes, and lack of adherence to a mixed potential model for electroless deposition in their mildly alkaline solution. 

We have considered two potential models for this interaction and the nature of R determines which is operating. Evidence for the first model comes from the l3C NMR shift for C-9 of 3, 189 ppm, compared to the 9-methylfluorenyl cation, 7 R=CH3, 228 ppm. The upfield shift for C-9 suggests an increase in electron density, which could be accomplished through a to p donation (32), as shown below. Changes in the electronic nature of the a-bonds of one ring system can be... 

Such systems are potential models for transition states for the transfer of a group or atom Y between two centres X (3) or the cleavage of the Y-MX3 anion (4). It is always clear which structure is closer to the transition state, which must be the symmetrical species in the first case, and have a Y-M distance longer than any actually observed in the latter. 

Dove MT, Winker B, l slie M, Harris MJ, Salje EKH (1992) Anew interatomic potential model for calcite Applications to lattice-dynamics studies, phase-transformations, and isotope fractionation. Am Mineral 77 244-250... 

The results from the chemical library serve three purposes. To identify tools that can be used at later stages of drug development (i.e., for determining the target population) and for providing potential models for structure-activity relationship... 

Studies of the order within surfactant monolayers have been reported for many decades. Multilayer assemblies have been studied by electron as well as infrared absorption. Motivated by an older model proposed for the orientation of molecules (Langmuir, 1933 Epstein, 1950), and by recent theoretical calculations, these two potential models for tilt disorder in the monolayer have been examined. Both models arise because the monolayer structure tries to compensate for the difference between the equilibrium head-head and chain-chain distances that each piece of the molecule would want to attain if it were independent. In one model, the magnitude of the tilt is fixed, but the tilt direction wanders slowly through the lattice. In the second... 

Bhargava, B.L., and Balasubramanian, S., Refined potential model for atomistic simulations of ionic liquid, /. Chem. Phys., 127, 114510, 2007. 

The potential model for water used in our work is taken from the work of Stillinger and David (8) (SD) as modified by Halley and co-workers (9) (HRR). Models for water that are capable of hetero-lytic dissociation into ions OH and H+ could take two different approaches. Probably the best approach, promising but not yet... 

Stress-temperature coefficients are determined for cross-linked networks of PE and polyisobutylene elongated in the amorphous state. Interpretation of the indicated temperature coefficient of 0 for PE according to the three-fold potential model for rotation around the C—C bonds is consistent with an energy difference of 2.1 kJ mol-1 between gauche and trans states. The small temperature coefficient for isobutylene is due to steric interactions affecting bond rotations. 

Van Theemsche, A., Deconinck, J., Van den Bossche, B., Bortels, L., Numerical solution of a multi-ion one-potential model for electroosmotic flow in two-dimensional rectangular microchannels. Anal. Chem. 2002, 74(19), 4919-4926. 

Shao L, Shuai Y, Li Z, Zhao Y, Huang C, et al. 2008. Functional study of dysbindin homolog in Drosophila A potential model for schizophrenia. (Abstract 254.11 from 2008 Society for Neuroscience Annual Meeting, Washington, DC). 

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