شماره 2 تاریخ انتشار 2013-12-01

• First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress
• Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds?
• Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin
• Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers
• Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle
• Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations
• A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase
• Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration
• Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics
• Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole
• Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate