h_tavakol@iut.ac.ir Google Scholar Office Department of Chemistry, Isfahan University of Technology, Isfahan, Iran Phone +98 313 3913241 Fax +98 313 3913241 Research Interests Organic synthesis by focus of including pharmaceutically active compounds Synthesis and functionalization of carbon nanostructure and their applications as adsorbent sensor and catalyst Theoretical study of reaction mechanisms and catalytic processes More ArticlesJournal Papers Title DOI type The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms 10.1007/s11164-024-05459-3 Journal Theoretical study of the efficiencies of graphyne supported Mo single-atom catalyst (SAC) and Mo-Ni dual-atom catalyst (DAC) on hydrogen evolution reaction 10.1080/1536383X.2024.2409765 Journal Single-atom catalysts (SACs) for CO <sub>2</sub> to CO conversion using Cu, Ni, and Co on graphene flakes support; a DFT study 10.1080/1536383X.2024.2412665 Journal Solvent-Free Synthesis of ?-Cyanophosphonates from ?-Nitrostyrenes by Using a Deep-Eutectic Solvent Catalyst 10.1055/a-2239-6819 Journal A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates 10.1007/s11164-024-05382-7 Journal Employing nano-SnFe2O4 in the synthesis of arylbenzimidazoles, the computational study of the reaction mechanism, and examining the products as putative human transmembrane protein activators 10.1007/s11164-023-05065-9 Journal The theoretical study of electron-induced trimerization of acrylic acid anion radical in the gas phase 10.1007/s11164-023-05019-1 Journal MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids 10.1007/s11164-023-05031-5 Journal Gold(I)-catalyzed cycloisomerization of alcohol or amine tethered-vinylidenecyclopropanes providing access to morpholine, piperazine or oxazepane derivatives: a carbene <i>versus</i> non-carbene process 10.1039/d3qo00085k Journal Electrochemical co-deposition of cobalt and graphene, produced from recycled polypropylene, on TiO2 nanotube as a new catalyst for photoelectrochemical water splitting 10.1016/j.ijhydene.2022.10.145 Journal
