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صفحه اصلی
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بیست و نهمین کنفرانس شیمی آلی ایران
Interaction of Carmustine anticancer drug with Adenine, Cytosine, and Guanine nucleobases: By density functional theory, localized lector orbitals and atom in molecule theory
نویسندگان :
Mahdi RezaeiSameti ( دانشگاه ملایر ) , Ashkan Bagheri ( دانشگاه ملایر )
کلید واژه ها :
Carmustine drug،Adenine،Cytosine،Guanine،Density functional theory
چکیده مقاله :
In this work, the interaction of Carmustine (CAM) anticancer drug with Adenine, Cytosine, and Guanine nucleobases is scrutinized at the B3LYP/6-31G (d, p) level of density functional theory by using Gaussian 09 software. The results of adsorption energy and deformation energy of all studied complexes are exothermic. The electrical properties of all studied complexes alter significantly .from original states
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