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Electrostatically-correlated

Simple electrostatic correlations of fluoride complexes in aqueous solution. G. Hefter, Coord. Chem. Rev., 1974,12, 221-239 (74). [Pg.40]

Rouzina, I. and Bloomfield, V. A. (1996) Macro ion attraction due to electrostatic correlation between screening counterions. I. Mobile surface-adsorbed ions and diffuse ion cloud. J. Phys. Chem., 100, 9977-9989. [Pg.145]

Tan, Z.-J., and Chen, S.-J. (2005). Electrostatic correlations and fluctuations for ion binding to a finite length poly electrolyte. J. Chem. Phys. 122, 044903. [Pg.432]

AE(2) e(20) cdisp AE Dispersion energy arising between SCF monomers (2nd order) Electrostatic-correlation energy (2nd order). Intra-monomer correlation correction to (22) 1. Deformation-intra-correlation. [e-nd r] 2. Deformation-dispersion. [e. jnd]... [Pg.669]

The correlation contributions are of secondary importance. They primarily include the weakly anisotropic dispersion term (cf. Fig. 6) and a smaller but much more anisotropic electrostatic correlation term. In the PES modeling, the latter may be safely absorbed in the total electrostatic interaction. [Pg.679]

The shorter-range electrostatic correlation expressed in hydrogen-bond formation is only briefly noted in this chapter. Some new light is thrown on it by the numerical work of Rahman and Stillinger already referred to. [Pg.242]

The band structures of the transition metal monoxides including NiO have been a topic of considerable interest for many years, and study of spectra and transport properties continues in an effort to determine band widths, separations and electrostatic correlation energies. NiO is a Mott insulator (96) and the localized electron description assumed here is probably appropriate. Augmented plane wave band structure calculations have recently been made for NiO and other monoxides (97) and a localized electron multiple scattering Xa calculation for NiO (98). Neither type of calculation includes electron-electron correlation effects. [Pg.52]

At ZB>0.5a the stretching of the chains is smaller than in a corresponding uncharged brush, indicating the influence of attraction due to electrostatic correlations. [Pg.89]

M k = 0, 2, and 4. They also considered the effect of additional configurations on the spin-orbit interaction to produce the electrostatically correlated spin-orbit interaction. [Pg.344]

Y. Levin. Electrostatic correlations from plasma to biology. Rep. Prog. Phys., 65 1577-1632., 2002. [Pg.460]

The concept is that all species considered to have thermodynamic properties will also have pair correlation functions. However, because of stoichiometry, there are constraints on both the properties and the correlation function integrals. Further, though the collection of charges on ions requires electroneutrality only as a consequence of the stoichiometry, there are long-range electrostatic correlations of the ions that affect FST modeling of electrolytes. This aspect has also been treated (Cabezas and O Connell 1986 Perry, Cabezas, and O Connell 1988 O Connell 1993). The purpose of this section is to briefly outline the basis and results available. [Pg.248]

The tendency for a hydrophobic material to adsorb onto a hydrophobic surface is frequently described in terms of a "hydrophobic interaction (attraction)." While entropic arguments for the presence of such a phenomenon are easy to make, the fact that long-range attractive forces between hydrophobic surfaces have been observed cannot be accounted for by typical DLVO theory [20]. A number of explanations of this phenomenon have been advanced, such as enhanced hydrogen bonding, electrostatic correlation forces, film stability, dissolved gases, and density fluctuations, but none has been successful in explaining all of the features of this... [Pg.662]

Ma M, Xu Z Seltconsistent field model for strong electrostatic correlations and inhomogeneous dielectric media, J Chem Phys 141(24) 244903, 2014. [Pg.78]


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