شماره ركورد كنفرانس
3834
عنوان مقاله
STUDY OF THEORITICAL MAGNETIC PROPERTIES AND CORROSION INHIBITION ABILITY OF SOME AMINO-PYRIMIDINE INHIBITORS
پديدآورندگان
Dargahi Maryam Department of Chemistry, Faculty of Science, Imam Khomeini International University, Qazvin, Iran , Behzadi Hadi nadiaardalaneftekhari@yahoo.com Department of Physical Chemistry, Faculty of Chemistry, Kharazmi University, Tehran, IranNadia, Ardalan; Department of Chemistry, Faculty of Science, Imam Khomeini International University, Qazvin, Iran;
تعداد صفحه
3
كليدواژه
DFT , Corrosion , Inhibitor , Aromaticity , NICS , Magnetic susceptibility
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
As a new approach, the relationship between the magnetic properties of amino-pyrimidine derivatives and the inhibitory of compounds were theoretically studied. The nucleus independent chemical shifts (NICS) and magnetic susceptibility (Ʌ) are shown as the indicators of aromaticity and demonstrated good correlation with experimental inhibition activities.
كشور
ايران
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