%0 Journal Article %T Investigation of Fullerene Effect on Reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR Parameters %J International Journal of New Chemistry %I Iranian Chemical Science and Technologies Association %Z 2645-7237 %A shamsabadi, leila %D 2015 %\ 12/01/2015 %V 2 %N 4 %P 79-82 %! Investigation of Fullerene Effect on Reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR Parameters %K 2-amino-3-(3 %K 4-dihydroxyphenyl)-2-methyl-propanoic acid %K Fullerenes %K Chemical potential %K Nano drug carriers %R 10.22034/ijnc.2015.37054 %X In this research at the first 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid  drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η), Thermodynamic Properties was determined and the coefficients of hybrid bonds (π, σ) and the orbital portion of the bonds p (π, σ) was performed. In another part, the core and the valence electrons of atoms were compared. This drug as a major therapeutic category is antidepressant drug. In this study of fullerenes, we used nano drug carriers. The data in tables and graphs and shapes were compared and discussed. %U https://www.ijnc.ir/article_37054_46d9ebf7107d2b75da5cebecf09456e2.pdf