شماره ركورد كنفرانس :
1771
عنوان مقاله :
A QSPR Study About the Inhibiton Efficiency of a Set of Imine Compounds
پديدآورندگان :
Sheikh Shoaie Iran نويسنده , Nezamabadi-pour Hossein نويسنده , Sheykh Shoaei Maryam نويسنده
كليدواژه :
Corrosion , organic compound inhibitors , physico-chemical properties
عنوان كنفرانس :
The First Conference and Workshop on Mathematical Chemistry
چكيده فارسي :
In this study some calculations were performed on the structural properties of 9 imine
compounds (1-9). Experimental details of using these compounds as inhibitors for acid
corrosion of steel. In many physical inhibition areas, it is necessary to translate those
general reactions into quantitative associations expressed in useful algebraic equations
know as Quantitative Structure- Activity (-property) Relationships (QSPR). Here we
obtained a set of quantum chemical parameters calculated by AM1 semi-empirical
method. In the result the correlation coefficient between experimental and calculated
efficiencies is quite low, so the calculated data is a good agreement with the
experimental data.
شماره مدرك كنفرانس :
1758929