List of Articles Reactivity Open Access Article Abstract Page Full-Text 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 Abstract Page Full-Text 2 - Reactivity and aromaticity of hexasiline derivatives Si6XH5 (X = H, F, Cl, Br, COOH, NO2, NH2, CH3 and tBu) Mehdi Nabati Open Access Article Abstract Page Full-Text 3 - A DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes Shahla Hamedani Hossein Aghaie Shahram Moradi Open Access Article Abstract Page Full-Text 4 - 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 Abstract Page Full-Text 5 - A quantum-mechanical investigation of functional group effect on 5,5'-disubstituted-1,1'-azobis(tetrazoles) Mehdi Nabati Open Access Article Abstract Page Full-Text 6 - 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