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Repulsive charge

The structure of yint depends, in general, on the nature of the solute-solvent interaction considered by the solvation model. As already noted in the contribution by Tomasi, a good solvation model must describe in a balanced way all the four fundamental components of the solute-solvent interaction electrostatic, dispersion, repulsion, charge transfer. However, we limit our exposition to the electrostatic components, this being components of central relevance, also for historical reason, for the development of QM continuum models. This is not a severe limitation. As a matter of fact, the QM problem associated with the solute-solvent electrostatic component defines a general framework in which all the other solute-solvent interaction components may be easily collocated, without altering the nature of the QM problem [5],... [Pg.83]

The solutions of Eq. (16) for which the umklapp is relevant (i.e., g3 flows to strong-coupling values) are for 2g2 - gi > —1. A Hubbard gap forms for repulsive charge-excitation interactions. At temperatures below Tp E0 exp(-l/g3) [see Eq. (10)], when the gap in the charge excitations is felt, the perturbative RG results have to be discarded in favor of more exact ones. The calculations of Voit [41] show that the susceptibility power... [Pg.41]

In brush cleaning, an alkaline chemistry such as NH4OH is often used to remove the particles such as particles of silica, alumina, glass, polystyrene latex (PSL), and silicon nitride from various wafers in the first brush. The basic chemistry is used mainly to increase the repulsive charge by the zeta potential between the particle and the substrate. [Pg.474]

Protons, however, do form stable nuclei despite the repulsive force between them. A strong attractive force between these protons overcomes the repulsive force at small distances. Because neutrons also add attractive forces without being subject to repulsive charge-based forces, some neutrons can help stabilize a nucleus. Thus, all atoms that have more than one proton also have neutrons. [Pg.101]

Another limitation that is specific to the parallel plate electrospinning technique is the collection of extremely thin nanofibers, which have been observed to break because they were unable to sustain the forces of their own weight and of the repulsive charges from other fibers [62]. An electrically resistive substrate inserted into the gap between the plates can provide support to fibers suspended between the plates without influencing fiber quality [62], and may also help to shield any conductive materials below the air gap, which may attract unwanted non-aligned nanofibers. Substrates with bulk resistivity greater than 10 Q cm, such as quartz and polystyrene, are suitable for placement between parallel electrodes, while materials with bulk resistivity of less than 10 Q cm, such as glass, may result in random fiber orientations [67, 68]. [Pg.181]

One thing the theory makes quite clear is that at low and moderate ionic strength the adsorption rate falls quite abruptly to very low values once a repulsive charge starts to build up on the surface. Therefore at low and moderate ionic strength the maximum adsorption will never exceed the value... [Pg.297]

Gao, J., and Wang, Y. (2012]. Communication Variational many-body expansion Accounting for exchange repulsion, charge delocalization, and dispersion in the fragment-based explicit polarization method, J. Chem. Phys. 136, 071101. [Pg.28]

The Interheme Hydrophobic Crevasse, Filled with Hydrophobic Hydration, Repulses Charge and the Approach of Polar Oxygen... [Pg.278]

From this comparative analysis, the concept emerges that even slight modifications of the various energy contributions, such as overlap repulsions, charge transfers and exchange effects, can alter not only the energy barriers of the reaction but also the nature of the critical points. [Pg.237]

In the past decade considerable attention has been paid to an analysis of chemical bonding in physically meaningful contributions such as steric repulsion, electrostatic attraction/repulsion, charge transfer, polarization, etc. We may refer to the work by Morokuma et al. [15, 16, 17], Whangbo et al. [18], Bernard , Bottoni et al. [19] and Stone and Erskine [20]. Applications of such analyses to transition-metal complexes have been carried out by Morokuma et al. [2]), Ziegler [22, 23], Bauschlicher and Bagus [24], and Baerends and Rozendaal [25]. [Pg.326]

Heiectro is related to polar group interactions (polar group-water interaction polar group-polar group repulsion charge-charge repulsion)... [Pg.74]

Rational protein engineering has been successfully used in a variety of problems of interest in biomedical engineering. One of the first, and perhaps the most widely used examples can be found with the protein engineering of human insulin for the treatment of diabetes [ 3 ]. Native insulin has evolved to form dimers and hexamers, so that it can be produced and stockpiled in the pancreas before it is needed for release in the body. When purified insulin is injected subcutaneously following a meal as a treatment for diabetes, only the active monomer form is desired, and thus the formation of dimers and hexamers can slow absorption. This has been addressed using site-directed mutagenesis to introduce repulsive charges and steric hindrances at the dimer interface, in order to reduce the tendency of human insulin to self-assemble. This work has led to insulin monomers that have an increased rate of absorption, and thus a produce a preferable postprandial plasma concentration profile [4]. [Pg.219]

London Dispersion Forces (London Forces) n [fr. Fritz London. (1930) Identifies weak intermolecular forces based on transient dipole interactions. One of van der Waals forces, also called dispersion forces, but distinct from dipole-dipole forces. These forces arise fi om momentary fluctuations in the electron charge cloud density in a atom or molecule. Changes in symmetry of the electron cloud that cause a momentary dipole moment and attractive/repulsive charges. The larger a molecule is and the more electrons it has, the more polarizable it will be, and thus the larger the London forces can be. Molecular shape and other factors are also important. (Whitten KW, Davis RE, Davis E, Peck LM, Stanley GG (2003) General chemistry. Brookes/Cole, New York)... [Pg.433]


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Cation charge repulsion

Charge Repulsion Systems

Charge repulsion

Charge repulsion proteins

Charge-transfer Coulomb repulsion

Charged plates, electrostatic repulsion

Charged repulsion barrier

Charged spheres, electrostatic repulsion

Charge—dipole repulsion

Electron charge concentration repulsion

Electrostatic repulsion between charged radicals

Electrostatic repulsion, averaged charge

Electrostatic repulsion, photogenereated charges

Electrostatic repulsive force between charged particles

Image charge repulsion

Internal charge repulsion model

Intramolecular charge repulsion

Noncovalent charge repulsion

Point-charge model pair repulsion

Repulsion between charged plates

Repulsion between charged radicals

Repulsion between charged spheres

Repulsion energy, charge-transfer

Repulsion energy, charge-transfer transitions

Repulsion, charged particles

Repulsion, of like charges

Repulsive charge forces

Repulsive energy, electrically charged

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