CIVILICA We Respect the Science
(ناشر تخصصی کنفرانسهای کشور / شماره مجوز انتشارات از وزارت فرهنگ و ارشاد اسلامی: ۸۹۷۱)

Theoretical study of the relationship between topological indices in contrast to some molecular properties of chiral boron nitride nanotubes

عنوان مقاله: Theoretical study of the relationship between topological indices in contrast to some molecular properties of chiral boron nitride nanotubes
شناسه ملی مقاله: NCNC01_081
منتشر شده در اولین همایش ملی فناوری های نوین در شیمی و مهندسی شیمی در سال 1392
مشخصات نویسندگان مقاله:

E Hemmatimehrabadi - Department of Chemistry, Faculty of Sciences, Islamic Azad University, Arak Branch, Arak, Iran
E. Mohammadinasab - Department of Chemistry, Faculty of Sciences, Islamic Azad University, Arak Branch, Arak, Iran

خلاصه مقاله:
In this study, the relationship between some of the topological indices such as diameter, the number of boron, the number of nitrogen in contrast to theelectrical moments such as dipole, octapole quadrupole, hexadecapole electric moments of some chiral polyhex BN nanotubes (BNNT) arepresented. The results are performed by densityfunction theory method with Becke,s 3-parameter formulation by the Lee-Yang-Parr functional (B3LYP) method on 3-21G basis set

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/211778/