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;
كليدواژه :
DFT , Corrosion , Inhibitor , Aromaticity , NICS , Magnetic susceptibility
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.
