شماره ركورد كنفرانس :
3776
عنوان مقاله :
A theoretical study of aromatics with AIM and Gaussian softwares
پديدآورندگان :
Khanaliluoa Peyman peyman_khanaliluo@yahoo.com Aromaticity Islamic Azad university Tehran branch, Tehran , Hasankhani Saeed Azarbaijan shahid Madni university, Tabriz , Dorosti Reza Islamic Azad university Khoy branch, khoy, , Varmazyari Sima Islamic Azad university Khoy branch, khoy,
تعداد صفحه :
1
كليدواژه :
,
سال انتشار :
1395
عنوان كنفرانس :
بيست چهارمين سمينار شيمي آلي ايران
زبان مدرك :
انگليسي
چكيده فارسي :
Aromaticity is one of the cornerstones of modern organic chemistry, aromaticity is a manifestation of electron delocalization in closed circuits,either in two or in three dimensions,The properties derived from topological analysis of electron density at the ring critical point, RCP, have been used to model four different aromaticity indices. The intercorrelations between various aromaticity indices and some properties extracted from the RCPs of 9 aromatic rings have been investigated. It was found that individual RCP properties cannot be considered as reliable quantitative characteristics of 𝝅 electron delocalization in heterocyclic compounds.
كشور :
ايران
لينک به اين مدرک :
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