International Journal of new Chemistry
Volume:2 Issue: 4, Summer 2016

The aim of this study is to verify the amount of nitrate absorption on Latium composite over active carbon in which pH parameters, temperature, pollutant concentration, contact time for absorbent were considered. It was determined that optimum condition for absorbent are pH=3, T= 0 ˚C and initial concentration of solution=10 ppm, then absorption parameters verified and after drawing absorption isotherms (Langmuir, freundlich) in nitrate absorption process it was evident that languir model had the most conformity with experimental data gained Latium composite on active carbon.

In this study, on the combination of chlorpromazine with two aromatic rings, halogens are attached to the rings, and changes in the angles and lengths of the ipsos are calculated. Calculations show that by changing the halogen based on the amount of electronegativity, the magnitude and variation of the angular lengths The lengths of the links also change in the following order. The angles of the IPSO mode: RF Pro + 2F> Pro + 2Cl> Pro + 2Br> Pro + F> Pro + Cl> Pro + Br>   chlorpromazine

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.

In this research at the first Afrin drug or and its fullerene derivative were optimized. Afrin is a nasal congestion drug that acts by contraction of the blood vessels of the arteries and veins. Afrin acts directly on the nasal vessels. Eclipse of the blood vessels in your nose and the sinuses causes the water to be collected and the nasal congestion is reduced. And this medicine is used for colds. The fullerene is made up of a large number of carbon atoms, which is round and spherical. In this research, the early studies [2X- [C60-Afrin-C65 (X = F, Cl, Br) were optimized. All computations were performed using the Hartree-Fake method in the 6-31G * series, using GaussianVoucin 2003 software and in the gas phase. Calculations have shown that by changing the halogenated equations based on the size and changing the electronegative size, the lengths of the connections and The angles change. The results indicate that the C65-X has the shortest bond length and bond strength. As well as the angles, C65-C66-C67 was investigated which has this process. R-F