List of Articles Free energy Open Access Article Abstract Page Full-Text 1 - Design and fabrication of highly hydrophobic Mn nano-sculptured thin films and evaluation of surface properties on hydrophobicity Somaye Hosseini Hadi Savaloni Mehran Gholipour-Shahraki 10.1007/s40094-017-0243-2 Open Access Article Abstract Page Full-Text 2 - Quantum mechanics investigation of acid dissociation constant of carboxylic acids in aqueous solution M. Khaleghian Gh. R. Ghashami Open Access Article Abstract Page Full-Text 3 - A Theoretical Study on the Aromaticity of 5-methylcytosine tautomers in the gas phase H. Aghaie K. Zare E. Zahedi S.R. Emamian Open Access Article Abstract Page Full-Text 4 - Thermodynamics, Solvents effects and 1H ,13C NMR Shielding :Theoretical studies of Adamantane Z. Bayat M. Monajjemi Open Access Article Abstract Page Full-Text 5 - Thermodynamic Analysis for Cationic Surfactants Binding to Bovine Serum Albumin Abdol-Khalegh Bordbar Open Access Article Abstract Page Full-Text 6 - Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes Avat (Armen) Taherpour Karim Zare Leila Bakhtiari Open Access Article Abstract Page Full-Text 7 - Free Energies of Electron Transfer, Electrochemical Properties, Electron Transfer Kinetic Theoretical and Quantitative Structural Relationship Studies of Cn@X-[HbA] (HbA=Hemoglobin A; X= - and -Fumarate Crosslinked Hemoglobins (XL & XL)) Nanostructure Complexes Avat (Arman) Taherpour Leila Fathiyan Open Access Article Abstract Page Full-Text 8 - Interaction of Pyrimidine Nucleobases with Silicon Carbide Nanotube: Effect of Functionalization on Stability and Solvation S. Ketabi S. M. Hashemianzadeh Open Access Article Abstract Page Full-Text 9 - Prediction of accurate pKa values of some α-substituted carboxylic acids with low cost of computational methods M. Abul Kashem Liton Sabrina Helen Mukta Das Dipa Islam M. Rabiul Karim Open Access Article Abstract Page Full-Text 10 - مقایسه اثرات نانوورق های گرافن و خاک رس روی ساختار بلوری پلی وینیلیدین فلوراید علی اکبر یوسفی Open Access Article Abstract Page Full-Text 11 - Comparison of the effects of graphene and nanoclay nanosheets on crystalline structure of polyvinylidene fluoride Ali Akbar Yousefi