شماره ركورد كنفرانس
3834
عنوان مقاله
Molecular Dynamic Simulation Study on the Selective Complexation of Porphyrin Trimer with Fullerenes
پديدآورندگان
Khavani Mohammad khavanim@yahoo.com Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran; , Izadyar Mohammad Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran , Mehranfar Aliyeh Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran , Housaindokht Mohammad Reza Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran
تعداد صفحه
2
كليدواژه
Molecular dynamic simulation , C60 , C70 , complex , stability
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
The ability of porphyrin trimer (PT) for selective complex formation with C60 and C70 fullerenes have been investigated by using 20 ns molecular dynamic (MD) simulations. Obtained results indicate that PT is a good candidate as a receptor for fullerenes. Moreover, can makes more stable complex with C70 in comparison to C60, in water.
كشور
ايران
لينک به اين مدرک