Near neighbor interaction

It is seen that the 1-3 linkage requires a significantly larger distance than the other linkages and hence is much less probable for near-neighbor interactions. Therefore, we predict the dimeric isomers and yields shown in Table IX. Because of the arrangement of the carbon atoms in the orthorhombic and monoclinic crystals, the same dimer distribution is also predicted for them, and no change in the dimeric isomer distribution would be expected for any of the reported crystalline forms. 

Near-Neighbor Interactions, Non-Self Intersecting Random Walks... 

Huggins, 1968). An example of the variation in some of these functions is shown in Fig. 6. It should be emphasized that all of these functions are based on limited data and assumptions whose validity is difficult to substantiate. Also, it is possible that two sets of functions may be required, one for near-neighbor interactions and another for interactions between remotely connected parts of the chain (Scott and Scheraga, 1966c). Therefore, recent attempts have been made to refine these functions by using them to compute the known structures of small molecules from electron diffraction data and the known crystal structures of small molecules from X-ray diffraction data. Jacob et al. (1967), 5 ... 

However, if the next-near-neighbor interaction predominates, then the stable configuration is ordering of the second kind (see Fig. 18). 

Mn-Cu and Mn-Ag alloys indicate njln 4.6 with antiferromagnetic near-neighbor interactions and ferromagnetic next-nearest-neighbor (and greater) interactions. Thus Mn acts as a case (c) solute in these solvents also. 

It seems to the author that a detailed molecular model for the solution using only near neighbor interactions is no more complex and would probably yield more interesting and useful information. The parameters for such a model would be only the dipole moments and radii of the solute and solvent species. 

Migration clusters may be defined by intermediate-range interactions ( ). These give rise to intermediate-range bonds and clusters ("secondary clusters"). Excitation delocalization will usually happen within "primary clusters", defined by near neighbor interactions. 

This approximation corresonds to Allen s bond additivity scheme involving near-neighbor interactions taken two and three... 

Partition Function for the One-Dimensional Ising Model For the one-dimensional Ising model with near-neighbor interactions with a Hamiltonian of the form (i.e. zero field)... 

In this expression, we have made the simplifying assumption that the model is strictly reckoned on the basis of near-neighbor interactions. The outcome of the calculation is that the vacancy formation energy is given by... 

A quantitative approach is to define these Coulomb interactions, not only the on-site interaction but also several near-neighbor interactions, which cannot be negligible, conq)ared to the bandwidth. A valuable approximation is to consider the two first terms. TTie extended Hubbard hamiltonian [20] is, in second quantization notation (site representation) ... 

Lattice-gas models have the desirable quality of a single structural model that bridges the gulf between the dense, relatively ordered fluid near and the ideal gas. One chooses an underlying structure ( lattice ) on which only some of the sites are occupied, the occupied fraction being determined by the assumed density. For the case of simple near-neighbor interactions, electronic structure can be calculated with a model Hamiltonian... 

Rawitch AB, Weber G (1972) Reversible association of lysozyme and thyroglobulin. Cooperative binding by near-neighbor interactions. J Bio Chem 247 680-685 James TD, Sandanayake KRAS, Shinkai S (1995) Chiral discrimmation of monosaccharides using a fluorescent molecular sensor. Nature 374 345—347... 

The authors could show interesting but rather complex effects of near-neighbor interactions and hydrophobic effects on the catalysis of activated esters. 

A quantitative approach is to define the Coulomb interactions, not only the on-site interaction but also several near-neighbor interactions, which cannot be... 

Typically, the temperature dependence of o is not large, but it may be either positive or negative. For example, 10 d In Rl Q/dTis —1.1 for polyethylene, 0.4 for atactic polystyrene, —0.1 to —0.3 for polyisobutylene, —0.2 for poly(ethyl acrylate), 2.2 for poly(hexyl methacrylate) and 0.5 for poly(vinyl alcohol). A large compendium of chain dimension parameters is available in the Polymer Handbook . A 1969 monograph by Flory gives a comprehensive summary of the application of the rotational isomeric state concept with near neighbor interactions to a great variety of real-chain model structures. 

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