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Redistribution structural

In order to define how the nuclei move as a reaction progresses from reactants to transition structure to products, one must choose a definition of how a reaction occurs. There are two such definitions in common use. One definition is the minimum energy path (MEP), which defines a reaction coordinate in which the absolute minimum amount of energy is necessary to reach each point on the coordinate. A second definition is a dynamical description of how molecules undergo intramolecular vibrational redistribution until the vibrational motion occurs in a direction that leads to a reaction. The MEP definition is an intuitive description of the reaction steps. The dynamical description more closely describes the true behavior molecules as seen with femtosecond spectroscopy. [Pg.159]

We have developed a theory that allows to determine the effective cluster interactions for surfaces of disordered alloys. It is based on the selfconsistent electronic structure of surfaces and includes the charge redistribution at the metal/vacuum interface. It can yield effective cluster interactions for any concentration profile and permits to determine the surface concentration profile from first principles in a selfconsistent manner, by... [Pg.137]

Analysis of the volumetric effects indicates that as a result of such mechanical activation, iron and manganese are concentrated in the extended part of the crystal, while tantalum and niobium are predominantly collected in the compressed part of the distorted crystal structure. It is interesting to note that this effect is more pronounced in the case of tantalite than it is for columbite, due to the higher rigidity of the former. Akimov and Chernyak [452] concluded that the effect of redistribution of the ions might cause the selective predominant dissolution of iron and manganese during the interaction with sulfuric acid and other acids. [Pg.260]

The central role of imperfections in mechanistic interpretations of decompositions of solids needs emphasizing. Apart from melting (which requires redistribution of all crystal-bonding forces, by a mechanism which has not yet been fully established) the decompositions of most solids involve the participation of atypical lattice constituents, structural distortions and/or surfaces. Such participants have, in particular instances, been identified with some certainty (e.g. excitons are important in the decompositions of some azides, dislocations are sites of nucleation in dissociations of a number of hydrates and carbonates). However, the... [Pg.285]

Packings of random and structured character are suited especially to towers under 3 ft dia and where low pressure drop is desirable. With proper initiai distribution and periodic redistribution, voiumetric efficiencies can be made greater than those of tray towers. Packed internals are used as replacements for achieving greater throughput or separation in existing tower shells. [Pg.7]

Smooth muscles, as the name implies, do not contain sarcomeres. In fact, it was initially difficult to demonstrate the presence of thick filaments in smooth muscle, although their presence is now well-established. On the other hand, it is very difficult to demonstrate thick filaments in highly motile cells, such as macrophages and neutrophils, and this may reflect the necessity to rapidly form and redistribute cytoskeletal elements during migration. Thick filaments in smooth muscles appear to be considerably longer than those in striated muscles. They run diagonally in smooth muscle cells and attach to the membrane at structures known as dense bodies. Thus, there is a cork-screw effect when smooth muscles contract (Warshaw etal., 1987). [Pg.64]

The focus is on the primary formation of bonds, not on subsequent reactions of the products to form other bonds. These latter reactions are covered at the places where the formation of those bonds is described. Reactions in which atoms merely change their oxidation states are not included, nor are reactions in which the same pairs of elements come together again in the product (for example, in metatheses or redistributions). Physical and spectroscopic properties or structural details of the products are not covered by the reaction volumes which are concerned with synthetic utility based on yield, economy of ingredients, purity of product, specificity, etc. The preparation of short-lived transient species is not described. [Pg.15]

Such layer structure does not allow ns to say a priori that hybridization of DNA will be possible, for it is protected by the octadecylamine layer. In order to control for this possibility, fluorescence measurements were performed. The first indication that hybridization was successful is that after the process, the sample surface became wettable, while before it and after cold hybridization it was not wettable at all. The results of the fluorescence measurements are summarized in Table 10. The results of the specific hybridization are three times more with respect to unspecific hybridization and one order of magnitude more with respect to cold hybridization. Thus, it appears that during a normal hybridization (100% homology) some structural changes and redistribution of the layer takes place. As a result, DNA becomes available for the specific reaction. Such a model also explains why the fluorescence level after unspecific hybridization (10% homology) is higher with respect to cold hybridization. Because the molecules have some mobility when the film is warmed, some DNA from the film could be hybridized on itself, while during cold hybridization this is impossible. [Pg.193]

By contrast, low temperature and low Mg concentration causes the redistribution of as much as 15% of the Ca -ATPase mass from the lipid hydrocarbon region into the cytoplasm [140,196,198], These effects of temperature and Mg concentration on the structure of the lipid phase and on the transmembrane disposition of Ca -ATPase are manifested in a slower rate of EiP formation and a longer lifetime of E]P at near zero °C temperatures and at low Mg concentrations [196,198],... [Pg.78]


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See also in sourсe #XX -- [ Pg.156 ]




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