شماره ركورد كنفرانس
3834
عنوان مقاله
ADSORPTION OF LOMUSTINE ANTICANCER DRUGS WITH FAUJASITE NANOZEOLITE: A DFT STUDY
پديدآورندگان
Farmanzadeh Davood d.farmanzad@umz.ac.ir Department of physical Chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran; , Hemmati Saravi Marzieh Marzieh.hemmati@Yahoo.com Department ofphysical Chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran; , Abdollahi Tahereh Department of physical Chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran
تعداد صفحه
2
كليدواژه
Faujasite , Lomustine , Interaction , Adsorption
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
In this study, we report the results of density functional theory (DFT) calculations of Lomustine drug was studied with Nano Zeolite Faujasite. The geometries of all structures were optimized at B97-D level of theory using 6-31+G* basis set. Results showed that adsorption is located in the range of chemical adsorption (-113 kJ/mol).
كشور
ايران
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