List of Articles Open Access Article Abstract Page Full-Text 1 - Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction) Elahe Rajaeian Avat (Arman) Taherpour Open Access Article Abstract Page Full-Text 2 - Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters Gholam Hossein Shafiee Jamshid Najafpour Seyed Abdolreza Sadjadi Open Access Article Abstract Page Full-Text 3 - Chromium(III) ion selective electrode based on 2H-1,4-benzothioazine-2,3(4H)dione dioxime as a neutral carrier M.H. Fekri M. Darvishpour E. Baghdar Open Access Article Abstract Page Full-Text 4 - Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations F. Mollaamin T. Nejadsattari I. Layali Open Access Article Abstract Page Full-Text 5 - Kinetic and thermodynamic studies of adsorption of 4-chloro-2-nitrophenol on nano- Ti02 A. Mehrizad K. Zare H. Dashti Khavidaki S. Dastmalchi H. Aghaie P. Gharbani Open Access Article Abstract Page Full-Text 6 - Effects of solvents polarity parameters on heterogeneous catalytic hydrogenation of cyclohexene in molecular solvents Mohammad Khodadadi-Moghaddam Faramarz Sadeghzadeh Darabi Open Access Article Abstract Page Full-Text 7 - Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies A. Nouni M. Yousefi M. Mirzaei Open Access Article Abstract Page Full-Text 8 - photocatalytic degradation of Triton X-100 in aqueous phase with Zinc oxide as a nanoparticle under UV light irradiation M. Giahi F. Ghanbari Open Access Article Abstract Page Full-Text 9 - Classical DFT Study on Atomic Electronegativity Mohammad Hossien Ghorbani Reza Fazaeli Arash Ghoorehian Open Access Article Abstract Page Full-Text 10 - Determination Functional Theory Investigation of Polyphenolic Compounds Reactions: NMR study M. Monajjemi A. Eghdami