The importance of constructing the appropriate Green function to solve a wide range of problems inelectromagnetics and partial differential equations is well-recognized by those dealing with classical electrodynamics and related fields. Although the subject of obtaining the Green function for certain geometries has been extensively studied and addressed in numerous sources, in this paper a syst...

the electrohydrodynamic (EHD) flow in a relatively wide electrostatic precipitator (ESP) (width:height = 2) is 2-or 3-dimensional (3D). The previous our measurements of 3D time-averaged flow velocity fields suggested that the flow in the ESP duct centre is almost 2-dimensional. In this paper we present both the 3D instantaneous and time-averaged flow velocity fields in a relatively wide ESP (wi...

Background: Electrostatic interactions are one of the forces guiding binding molecules to proteins. The assessment this interaction through computational approaches makes it possible evaluate energy protein-drug complexes. Objective: Our purpose here is review some methods used calculate electrostatic complexes and explore capacity these for generation new tools drug discovery using abstraction...

     The effects of substituents on the symmetry and the nature of halogen bonds in [N∙∙∙X∙∙∙N]+-type systems are presented for the YC5H4N∙∙∙X∙∙∙NC5H5 (Y = NO2, CN, H, CH3, OCH3, OH, NH2, X = Cl, Br, I) complexes. Some structural parameters, energy data and electronic properties were explored with...

A quantum chemical investigation was carried out to study the properties of intermolecular F•••F, Br•••Br and Br•••O interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (BFNB). This system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. We found that fluorine atoms have weak ...

This work concerns electrostatic properties of an ionic solution with multiple ionic species of possibly different ionic sizes. Such properties are described by the minimization of an electrostatic free-energy functional of ionic concentrations. Bounds are obtained for ionic concentrations with low electrostatic free energies. Such bounds are used to show that there exists a unique set of equil...