شماره 1 تاریخ انتشار 2011-05-01

• Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction)
• Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters
• Chromium(III) ion selective electrode based on 2H-1,4-benzothioazine-2,3(4H)dione dioxime as a neutral carrier
• Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations
• Kinetic and thermodynamic studies of adsorption of 4-chloro-2-nitrophenol on nano- Ti02
• Effects of solvents polarity parameters on heterogeneous catalytic hydrogenation of cyclohexene in molecular solvents
• Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies
• photocatalytic degradation of Triton X-100 in aqueous phase with Zinc oxide as a nanoparticle under UV light irradiation
• Classical DFT Study on Atomic Electronegativity
• Determination Functional Theory Investigation of Polyphenolic Compounds Reactions: NMR study