مرور Volume 3, Issue 3 بر اساس عنوان
در حال نمایش موارد 1 - 4 از 4
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Ab Initio Study on Nano Carrier (RS)-2-(1,2,3,4- tetrahydronaphthalen -1-yl)-4,5-dihydro-1H-imidazol Drug about Substituted Effect in Energy Levels, Dipole moment and Structural Parameters
(Iranian Chemical Science and Technologies Association, 2016-08-01)Tetryzoline(TH) is an adrenergic agent (vasoconstrictors) and derived from imidazoline. This compound is closely related to naphazoline hydrochloride in its pharmacological action. Nanotechnology has been used to provide ...
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Computational Study of Chemical Properties in Fullerene Derivatives of (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol or Lopressor
(Iranian Chemical Science and Technologies Association, 2016-08-01)In this research at the first (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-oland its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum ...
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The Study of the Effect of Changing the Substituted on Eectron and Orbital Properties of the Drug 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol on Nano Structure Fullerene Using Hartree- fock Method
(Iranian Chemical Science and Technologies Association, 2016-08-01)In this research work at The first compounds [C60- 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol-C65-2X]+ (X=F,Cl,Br) were optimized. Then the calculation of natural bond orbitals was performed with the NBO ...
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Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60
(Iranian Chemical Science and Technologies Association, 2016-08-01)In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/ ...
