Name Leila Dinparast Affiliation عضو یک سازمان آموزشی یا پژوهشی داخلی Degree _ Website Email — JournalPaper Presentation FinishedProject Book Thesis Speech Innovation ResearchExcellence Sabbatical TheorizingChair GrantAttraction WorkShop Membership JournalPublication ExecutiveActivity TitleJournal 1 A comparative DFT study about surface reactivity and catalytic activity of Pd- and Ni-doped BN nanosheets: NO reduction by CO molecule Structural Chemistry 2 Al or Si decorated graphene-oxide: A promising material for capture and activation of ethylene and acetylene JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 3 The selective adsorption of formaldehyde and methanol over Al- or Si-decorated graphene oxide: A DFT study JOURNAL OF MOLECULAR GRAPHICS & MODELLING 4 A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules Chemical Physics Letters 5 Epoxidation of ethylene over Pt-, Pd- and Ni-doped graphene in the presence of N2O as an oxidant: A comparative DFT study New Journal of Chemistry 6 Catalytic hydrogenation of CO2 over Pt- and Ni-doped graphene: A comparative DFT study JOURNAL OF MOLECULAR GRAPHICS & MODELLING 7 A DFT study on the catalytic hydrogenation of CO2 to formic acid over Ti-doped graphene nanoflake Chemical Physics Letters