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• Saghi.Majid DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals [ Vol.13, Issue 1 - Winter Year 2016]
• Shahab.Siyamak Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations [ Vol.13, Issue 3 - Summer Year 2016]
• Shamel.Ali Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides [ Vol.13, Issue 3 - Summer Year 2016]
• Sheikhi.Masoome Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations [ Vol.13, Issue 3 - Summer Year 2016]
• Sheikhi.Masoome DFT Study of Phenanthrene adsorption on a BN Nano-Ring [ Vol.13, Issue 2 - Spring Year 2016]
• Sheikhi.Masoome Theoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study [ Vol.13, Issue 2 - Spring Year 2016]
• Soleymani.Reza The Effect of Aluminum, Gallium, Indium- Doping on the Zigzag (5, 0) Boron-Nitride Nanotubes: DFT, NMR, Vibrational, Thermodynamic Parameters and Electrostatic Potential Map with Electrophilicity Studies [ Vol.13, Issue 2 - Spring Year 2016]