List of Articles Open Access Article Abstract Page Full-Text 1 - 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 Abstract Page Full-Text 2 - A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes Mahdi Rezaei Sameti Open Access Article Abstract Page Full-Text 3 - DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O Morteza Rouhani Open Access Article Abstract Page Full-Text 4 - Enhanced removal of Bismark Brown(BB) dye from aqueous solutions using activated carbon from raw Ziziphusspina-christi (ZSAC) Equilibrium, thermodynamic and kinetics gholamhossein vatankhah hossein koohmareh Open Access Article Abstract Page Full-Text 5 - Computational study of energetic, stability, and nuclear magnetic resonance of BN nanotube as a nanosensor Elham Pournamdari Open Access Article Abstract Page Full-Text 6 - Enhanced removal of humic acids (HAs) from aqueous solutions using MWCNTs modified by N-(3-nitro-benzylidene)-N-trimethoxysilylpropyl-ethane-1,2-diamine on Equilibrium, thermodynamic and kinetics nima karachi Open Access Article Abstract Page Full-Text 7 - Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study Javid Monjezi Rezvan Jamaledin Mousa Ghaemy Pooyan Majvandi Open Access Article Abstract Page Full-Text 8 - Reactivity and aromaticity of hexasiline derivatives Si6XH5 (X = H, F, Cl, Br, COOH, NO2, NH2, CH3 and tBu) Mehdi Nabati