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Molecular forces long-range

Buckingham A D 1967 Permanent and induced molecular moments and long-range intermolecular forces Adv. Chem. Phys. 12 107... [Pg.210]

Sharma R D and Brau C A 1969 Energy transfer in near-resonant molecular collisions due to long-range forces with application to transfer of vibrational energy from the mode of CO2 to N2 J. Chem. Phys. 50 924-30... [Pg.3015]

Tuckerman, M.E., Berne, B.J., Rossi, A. Molecular dynamics algorithm for multiple time scales systems with long range forces. J. Chem. Phys. 94 (1991) 6811-6815. [Pg.30]

M. E. Tuckerman and B. J. Berne. Molecular dynamics in systems with multiple time scales Systems with stiff and soft degrees of freedom and with short and long range forces. J. Comp. Chem., 95 8362-8364, 1992. [Pg.258]

In the context of molecular simulation, particularly biomolecular modelling, a critical aspect for numerical simulation is the presence of long-range Coulombic forces which render the force computations much more costly... [Pg.349]

In Chapter 2 the curve of Fig. 7 was introduced, to show the mutual potential energy arising from short-range forces in contrast to that arising from long-range electrostatic forces. To account for the existence of molecules and molecular ions in solution, we need the same curve with the scale of ordinates reduced so as to be comparable with those of Fig. [Pg.60]

Adsorption phenomena from solutions onto sohd surfaces have been one of the important subjects in colloid and surface chemistry. Sophisticated application of adsorption has been demonstrated recently in the formation of self-assembhng monolayers and multilayers on various substrates [4,7], However, only a limited number of researchers have been devoted to the study of adsorption in binary hquid systems. The adsorption isotherm and colloidal stabihty measmement have been the main tools for these studies. The molecular level of characterization is needed to elucidate the phenomenon. We have employed the combination of smface forces measmement and Fomier transform infrared spectroscopy in attenuated total reflection (FTIR-ATR) to study the preferential (selective) adsorption of alcohol (methanol, ethanol, and propanol) onto glass surfaces from their binary mixtures with cyclohexane. Om studies have demonstrated the cluster formation of alcohol adsorbed on the surfaces and the long-range attraction associated with such adsorption. We may call these clusters macroclusters, because the thickness of the adsorbed alcohol layer is about 15 mn, which is quite large compared to the size of the alcohol. The following describes the results for the ethanol-cycohexane mixtures [10],... [Pg.3]


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