Name Affiliation نامشخص Degree _ Website Email — JournalPaper Presentation FinishedProject Book Thesis Speech Innovation ResearchExcellence Sabbatical TheorizingChair GrantAttraction WorkShop Membership JournalPublication ExecutiveActivity TitleJournal 1 A theoretical study on H-bonding interactions in maleic acid: calculated 17O, 1H NMR parameters and QTAIM analysis MOLECULAR SIMULATION 2 A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies JOURNAL OF MOLECULAR MODELING 3 A quantum chemistry study on surface reactivity of pristine and carbon-substituted Al Nnanotubes PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 4 Investigation into the nature of interactions in aspirin–water clusters including SAPT, AIM and NBO theories MOLECULAR SIMULATION 5 A density functional study of silicon fuller eneendohedral X@Si20F20 and exohedralX-Si20F20 (X¼O2 , S2 , Se2 ) complexes PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 6 A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process Journal of Molecular Structure 7 Intriguing properties of unusual silicon nanocrystals RSC Advances