We study, in the presence of an external electrostatic field, interatomic interaction between two ground-state atoms coupled with vacuum electromagnetic fluctuations within dipole coupling approximation based on perturbation theory. show that, up to fourth order, electrostatic-field-induced is just classical dipole-dipole interaction, which disagrees recent result from Fiscelli et al. [G. al., ...

This work aimed to the study effect of ethanol ratios on acidity constants bromocresol purple. The BCP were determined in binary mixtures water with containing 0, 30, 40, 50, 60, and 70% (v/v) using spectrophotometric methods. results indicate dependence ratio ethanol. values log10Ka1 log10Ka2 correlated macroscopic (relative permittivity, ε) microscopic Kamlet–Taft parameters (α, β, π*) mixtur...

We present a genetic algorithm apt to determine a set of effective charges that approximate the electrostatic field around a molecule. We show that these charges provide a reasonably good approximation to the pair electrostatic interaction and argue that the method should provide a valuable tool in computer simulations of condensed phases, particularly liquid crystals.

The electrostatic interaction energy between methanol and the dyad water-imidazole has been computed numerically at three levels of approximation from 3D grids of the charge density of one partner and the electrostatic potential of the other. The minimum positions and energy values thus obtained compare well with those calculated analytically. The numerical procedure is especially interesting f...

We determine the electrostatic contribution to the elastic bending moduli of an insulating fluid membrane composed of either permanent, or field induced dipoles oriented along the normal directors of the surface. Using Debye-Hfickel screening theory, we show that in contrast to the uniformly charged membrane the bending rigidity becomes softened by the electrostatic interaction.

In this study, we theoretically investigated Methyl hydrazinecarbodithioate by quantum chemical calculations for geometry optimization, vibration frequencies, and electronic structure parameters. The geometry optimization by DFT, ab initio MP2 method and the frequency calculation by DFT method was performed at the highest available Pople style 6-311G++(3df,3pd) basis set level. The semi-emp...