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Open Access Article
1 - Prediction of the structural and spectral properties for L,L-ethylenedicysteine diethylester (EC) and its complex with Technetium-99m radionuclide
Mehdi Nabati -
Open Access Article
2 - Electronic Structure, Biological Activity, Natural Bonding Orbital (NBO) and Non-Linear Optical Properties (NLO) of Poly-Functions Thiazolo [3,2-a]Pyridine Derivatives. DFT Approach
Shimaa Hussien hussien moustafa -
Open Access Article
3 - Reactivity and aromaticity of hexasiline derivatives Si6XH5 (X = H, F, Cl, Br, COOH, NO2, NH2, CH3 and tBu)
Mehdi Nabati -
Open Access Article
4 - Evaluation of the antioxidant activity of Thymus Using Electrochemical Methods and radical scavenging method
Amir Yousefi Mohammad Hadi Givianrad Hessam Sepasi Tehrani -
Open Access Article
5 - TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
Shimaa Hussien hussien moustafa Nabil H. Amin Magdy A. Ibrahima ELShimaa Ibrahima -
Open Access Article
6 - A DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes
Shahla Hamedani Hossein Aghaie Shahram Moradi -
Open Access Article
7 - Determination of Activity and Selectivity of n-Heptane by Reforming Catalytic Pt-V Supported on gamma-Alumina
Mahdi Vadi Najimeh Astaneh -
Open Access Article
8 - Thermodynamics of Non-Ideality and Ion-Association in Saturated Aqueous Solution of Barium Nitrate at 25° C
M. Aghaie H. Aghaie A. Ebrahimi -
Open Access Article
9 - Non- Ideality and Ion-Pairing in Saturated Aqueous Solution of Lithium Carbonate at 25°C
M. Aghaie B.Sh. Broojeni -
Open Access Article
10 - Investigation of Activity and Selectivity of n-Heptane by Reforming Pt-Ta Catalyst Supported on y-Alumina
M. Vadi -
Open Access Article
11 - The Solubility of Potassium Sulfate in Thermodynamic view
H. Aghaie Z. Rezania -
Open Access Article
12 - Determination Functional Theory Investigation of Polyphenolic Compounds Reactions: NMR study
M. Monajjemi A. Eghdami -
Open Access Article
13 - Impact of Lewis acid catalyst on the regioselectivity and kinetics of 1,3-dipolar cycloaddition reaction of azidobenzene with acrolein: a theoretical study using DFT
F. Shams S. R. Emamian E. Zahedi -
Open Access Article
14 - A quantum-mechanical investigation of functional group effect on 5,5'-disubstituted-1,1'-azobis(tetrazoles)
Mehdi Nabati -
Open Access Article
15 - A competitive Diels-Alder/1, 3-dipolar cycloaddition reaction of1-H-imidazole 3-oxide toward sulfonyl methane. A DFT study on the energetic and regioselectivity
Saeedreza Emamian