This paper presents a survey of significant developments in research on the leaching of oil paint films by organic solvents, from the first systematic investigations carried out in the 1950s to more recent “clinical” studies involving the sampling and analysis of paintings during treatment. Key studies are discussed in the context of an improved knowledge of oil paint chemistry that has develop...

The known solvent dependence of J(Cc,Hf) and J(C1,Hf) couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional theory approach where the dielectric solvent effect is taken into account with the polarizable continuum model. The four terms of scalar couplings, Fermi contact, paramagnetic spin orbital, diamagnetic spin orbital and spin dipolar, are calculat...

The physical and chemical properties of Pyrazole and Pyrazoline molecules were theoreticallystudied by Gaussian 03, software with NMR and Molecular orbital calculations at B3LYP/6-31G andB3LYP/6-31+G(d) levels, in gas phase and solution. In this study a comparison effect of threesolvents with different dielectric constants on Pyrazole and Pyrazoline molecules in aspect energyinteraction between...

The phenomenological model of Khossravi and Connors (1992) has been adopted to calculate the electrophoretic mobility of drugs at different concentrations of solvents in a binary mixture. The accuracy and predictability of the model have been evaluated employing 14 experimental data sets by using average percentage mean deviation (APMD). The obtained APMD for correlative and predictive studies ...

The interaction of Fe2+ ion with Pyrazole was theoretically studied by Gussian 03, software at HF/(LanL2DZ+6-31G) and HF/ (LanL2DZ+6-31G (d)) levels in gas phase and solution. In this study acompartion between optimized structures of Pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (H°), Gibbs free energy (G°) and entropy (S°) in presence of metallic ion(Fe2+), was perfor...