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Interactions 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 ... [Pg.205]

A simple model for interactions between particles in an associating bulk fluid consists of a particle-particle potential and the interactions between sites belonging to different molecules. Supposing that each molecule has M sites, the potential of interaction between molecules 1 and 2 is [14]... [Pg.193]

The bonding of K+ and Na+ to A-methylacetamide is of interest64 in studies of the interaction of these ions with peptides and proteins, and particularly studies of the ion transport through transmembrane channels such as the gramicidin channel. Roux and Karplus35 have used the complexation of the given alkali ion with two N-methylacetamide molecules and two water molecules as a model for interactions occurring in transmembrane channels. [Pg.310]

Three-dimensional extended dipole model for interaction and alignment of chromophores... [Pg.266]

Now let us see how this result is to be understood in terms of the DLVO theory. At first glance, it seems remarkable that any consistency at all can be found in tests as arbitrary as the CCC determination. It is not difficult, however, to show that these results are quite close to the values predicted in terms of the DLVO model for interacting blocks with flat faces. From an inspection of Figure 13.8, we concluded that the system at k = 108 m l would be stable with respect to coagulation, whereas the one at k = 3 108 m l would coagulate. Furthermore, we examined the energy barrier to draw these conclusions. Next we must ask how the qualitative criteria we used in discussing the curves can be translated into an analytical expression. [Pg.590]

III. Partial Segregation. Theory of Finite Interaction Rate. Models for Interaction... [Pg.237]

Hanes, S. D., and R. Brent, A genetic model for interaction of the homeodomain recognition helix with DNA. Science 251 426-430, 1991. [Pg.827]

To argue in favor of the Gaussian model for interacting chains we again invoke the estimate (2,10) which suggests that the relative number of p-body... [Pg.18]

It is necessary to use the model as a medium to manage interaction between the positive and the normative folks. That is one of the underplayed aspects of the problem because the modelers are optimizing it for their community rather than optimizing the models for interaction. You can do this in academe. In business it fails completely. The real question is how do we want this community of collaboration to evolve, and we can adjust our investment in the modeling infrastructures based on that answer. [Pg.96]

D.I. Chasman, K.M. Flaherty, P.A. Sharp and R.D. Komberg. Crystal structure of yeast TATA-binding protein and model for interaction with DNA. Proc. Natl. Acad. Sci. USA 90 (1993) 8174-8. [Pg.403]

Histones have segments of polypeptide chain which are rich in basic residues and complementary segments rich in apolar, aromatic, acidic and other active residues. HNMR studies have shown [136,137] that the former are primary sites of DNA interaction, whilst the latter are sites of histone-histone interaction Figure 3.9). A model for interactions in chromatin gel has also been proposed from the observed differential broadening of peaks. [Pg.182]

A second application of PBPD modeling was the analysis of the toxicodynamic interactions between trichloroethylene (TCE) and 1,1-dichloroethylene (DCE) [97], The interactions examined were related to the binding of these chemicals to, and depletion of, hepatic glutathione (GSH) in relation to the intrinsic hepatic GSH synthesis, a protective mechanism toward DCE toxicity. PBPK models for interactions leading to depletion of hepatic glutathione had... [Pg.54]

Figure 8. Model for interactions of an atom with individual and independent bosonic reservoirs decribing spin-flips (Aj, Bj, Cj) and dephasing (l)j, Ej, Fj). Figure 8. Model for interactions of an atom with individual and independent bosonic reservoirs decribing spin-flips (Aj, Bj, Cj) and dephasing (l)j, Ej, Fj).
The paper is organized as follows. Section 2 shortly introduces the exciton model and its approximations. Section 3 reviews calculations of ground state properties (mainly the polarization and polarizability) paying special attention to the mean-field approximation. Push-pull chromophores, the special family of polar and polarizable molecules studied in this contribution, are presented in Section 4, with a brief discussion of their properties in solution and of relevant models. In Section 5 we present a model for interacting push-pull chromophores that will be the basis for the discussion of collective and cooperative effects in relevant materials. Static susceptibilities of clusters of push-pull chromophores are discussed in Section 6, focusing attention on cooperative effects in tlie ground state. Excited state properties are addressed in Section 7, with special emphasis to systems where intermolecular interactions lead to extreme consequences. Section 8 finally summarizes main results. [Pg.255]

The Hamiltonian in Eq. (10) is very simple but describes a fairly rich physics. Indeed it encompasses both the mf and Are excitonic models for interacting chromophores. To demonstrate this Important point we rewrite the same Hamiltonian... [Pg.264]

There are two possible definitions of the Gruneisen parameter, one microscopic and the other macroscopic. The microscopic definition involves a model for interactions on an atomic level, while the macroscopic definition involves measurable parameters. [Pg.286]

The AFM can also be used to measure force-distance curves. At a single sample point, the change in cantilever deflection is used to measure the force between the probe and the sample, as the probe approaches and recedes from the sample surface. The AFM can be adapted to monitor the interactions between deformable oil droplets in aqueous media as a model for interactions in oil-in-water emulsions (Gunning et al., 2004a). [Pg.275]

K. P. Hinshaw, R. B. Altman, and J. F. Brinkley. 1995. Shape-based models for interactive segmentation of medical images. In SPIE Medical Imaging 1995 Image Processing. San Diego Academic Press, pp. 771-780. [Pg.534]

N aniline was used in a study of the reactions of aniline with humic and fulvic acids (Thorn et al. 1996), and the detection of resonances attributed to anilinoquinone, imines, and N-heterocyclic compounds are fully consistent with the foregoing hypotheses. Structures in which phenols are covalently linked to C3-guaiacyl residues have been examined as models for interaction between chlorophenols and lignin residues in humic acids (Zitzelsberger et al. 1987). [Pg.156]


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See also in sourсe #XX -- [ Pg.24 , Pg.28 ]




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