We developed an equation of state (EOS) by Ihm, Song, and Mason (ISM) for polar fluids. The model consists of four parameters, namely, the second virial coefficient, an effective van der Waals co-volume, a scaling factor, and the reduced dipole moment. The second virial coefficient is calculated from a correlation that uses the heat of vaporization, and the liquid density at the normal boiling ...

in this paper, the interaction between an oscillating dipole moment and a silver nanoparticle has been studied. our calculations are based on mie scattering theory and discrete dipole approximation(dda) method.at first, the resonance frequency due to excitingthe localized surface plasmons has been obtained using mie scattering theory and then by exciting a dipole moment in theclose proximity of...

theoretically predictionq of the solvent effects of i - pentadecanoyl - 2 -docosahexaennyl - sn - glycerol3 - phosphocholin have been studied using 'jamey-lock quantiun chemical approximation and std - 30basis set within the onsager self-consistent reaction field (scrs') model all optimized conformers of i -pentadecanoyl - 2 -docosahexaenoyi - sn - glycerol 3 - phosphocholin as well as their to...

the ultraviolet-visible (uv) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. the electric dipole moments and polarizabilities in the molecular excited electronic states were determined. it was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

In this paper, the interaction between an oscillating dipole moment and a Silver nanoparticle has been studied. Our calculations are based on Mie scattering theory and discrete dipole approximation(DDA) method.At first, the resonance frequency due to excitingthe localized surface plasmons has been obtained using Mie scattering theory and then by exciting a dipole moment in theclose proximity of...

enzymes catalyze many biological reactions. the rates of chemical reaction in the presence ofenzymes are, in some cases, accelerated more than 10 orders of magnitude relative to thecorresponding rates in solution.in this paper a comparison between optimized structures of two enzyme molecules in aspect ofenergy and dipole moment in different conditions including presence of metallic ion, without...

in this paper, electronic, structural, and spectroscopic properties of mono-, di-, tri-, andtetrafluorothiophenes and their radical cations are studied using the density functional theory andb3lyp method with 6-311++g** basis set. also the effects of the number and position of thesubstituent on the electrochemical properties of the thiophene ring have been studied usingoptimized structures obta...

Theoretically predictionq of the solvent effects of I - pentadecanoyl - 2 -docosahexaennyl - Sn - glycerol3 - phosphocholin have been studied using 'Jamey-lock quantiun chemical approximation and STD - 30basis set within the Onsager Self-Consistent Reaction field (SCRS') model All optimized conformers of I -pentadecanoyl - 2 -docosahexaenoyI - Sn - glycerol 3 - phosphocholin as well as their to...