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
تعداد صفحه
4
كليدواژه
Corrosion , organic compound inhibitors , physico-chemical properties
عنوان كنفرانس
The First Conference and Workshop on Mathematical Chemistry
زبان مدرك
فارسی
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
سال انتشار
2008
از صفحه
1
تا صفحه
4
سال انتشار
0
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