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
لينک به اين مدرک :
بازگشت