TY - JOUR ID - 34990 TI - Computational Investigation of the Effect of Changes in Halogenated on Factors in Nano-Carriers of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride and C60 JO - International Journal of New Chemistry JA - IJNC LA - en SN - 2645-7237 AU - Aminian, Omid AD - Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran. Y1 - 2016 PY - 2016 VL - 3 IS - 4 SP - 87 EP - 92 KW - 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride KW - Fullerene KW - Participation of atomic orbital DO - 10.22034/ijnc.2016.34990 N2 - In this study, the drug combination of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride or Procychelidine was applied on fullerene and its dual halogen derivatives were optimized in the position of carbon 62. In this study, using initial computation methods, the rate of participation of atomic orbitals and hybrid coefficients in adjacent adjacent atoms was calculated, and the Procyclidine 2X-C60 composition was studied by varying substitutions such as Br, Cl, F. The results indicate the change in the rate of orbital participation and the degree of sustainability affected by these changes in this link. UR - https://www.ijnc.ir/article_34990.html L1 - https://www.ijnc.ir/article_34990_5b081228461e821659b59d335301d6cb.pdf ER -