| Kinetic models for hydroconversion of furfural over the ecofriendly Cu-MgO catalyst: An experimental and theoretical study M Ghashghaee, S Shirvani, M Ghambarian Applied Catalysis A: General 545, 134-147, 2017 | 67 | 2017 |
| Conductivity tuning of charged triazine and heptazine graphitic carbon nitride (g-C3N4) quantum dots via nonmetal (B, O, S, P) doping: DFT calculations M Ghashghaee, Z Azizi, M Ghambarian Journal of Physics and Chemistry of Solids 141, 109422, 2020 | 59 | 2020 |
| Carbenes with reduced heteroatom stabilization: a computational approach MZ Kassaee, FA Shakib, MR Momeni, M Ghambarian, SM Musavi The Journal of Organic Chemistry 75 (8), 2539-2545, 2010 | 57 | 2010 |
| Green synthesis of indol-2-one derivatives from N-alkylisatins in the presence of KF/clinoptilolite nanoparticles F Rostami-Charati, Z Hossaini, R Rostamian, M Ghambarian, A Zamani, ... Chemistry of Heterocyclic Compounds 53, 480-483, 2017 | 50 | 2017 |
| Remarkable improvement in phosgene detection with a defect-engineered phosphorene sensor: first-principles calculations M Ghambarian, Z Azizi, M Ghashghaee Physical Chemistry Chemical Physics 22 (17), 9677-9684, 2020 | 47 | 2020 |
| Defect engineering and zinc oxide doping of black phosphorene for nitrogen dioxide capture and detection: quantum-chemical calculations M Ghashghaee, M Ghambarian Applied Surface Science 523, 146527, 2020 | 44 | 2020 |
| Phosphorene defects for high-quality detection of nitric oxide and carbon monoxide: A periodic density functional study M Ghambarian, Z Azizi, M Ghashghaee Chemical Engineering Journal 396, 125247, 2020 | 42 | 2020 |
| Structural diversity of metallacycle intermediates for ethylene dimerization on heterogeneous NiMCM-41 catalyst: a quantum chemical perspective M Ghambarian, M Ghashghaee, Z Azizi, M Balar Structural Chemistry 30, 137-150, 2019 | 41 | 2019 |
| Adsorption of iron (II, III) cations on pristine heptazine and triazine polymeric carbon nitride quantum dots of buckled and planar structures: theoretical insights M Ghashghaee, Z Azizi, M Ghambarian Adsorption 26, 429-442, 2020 | 40 | 2020 |
| A DFT study on pyridine-derived N-heterocyclic carbenes MZ Kassaee, FA Shakib, MR Momeni, M Ghambarian, SM Musavi Tetrahedron 65 (48), 10093-10098, 2009 | 40 | 2009 |
| Theoretical insights into hydrogen sensing capabilities of black phosphorene modified through ZnO doping and decoration M Ghashghaee, Z Azizi, M Ghambarian International Journal of Hydrogen Energy 45 (33), 16918-16928, 2020 | 39 | 2020 |
| Hydrogen detection on black phosphorene doped with Ni, Pd, and Pt: Periodic density functional calculations M Ghambarian, Z Azizi, M Ghashghaee International Journal of Hydrogen Energy 45 (32), 16298-16309, 2020 | 38 | 2020 |
| Diversity of monomeric dioxo chromium species in Cr/silicalite-2 catalysts: a hybrid density functional study M Ghambarian, Z Azizi, M Ghashghaee Computational Materials Science 118, 147-154, 2016 | 37 | 2016 |
| Novel α-spirocyclic (alkyl)(amino) carbenes at the theoretical crossroad of flexibility and rigidity MZ Kassaee, MR Momeni, FA Shakib, M Ghambarian, SM Musavi Structural Chemistry 21, 593-598, 2010 | 37 | 2010 |
| In search of triplet ground state GeCNX germylenes (X= H, F, Cl, and Br): An ab initio and DFT study MZ Kassaee, M Ghambarian, SM Musavi Journal of organometallic chemistry 690 (21-22), 4692-4703, 2005 | 37 | 2005 |
| Influence of NiO decoration on adsorption capabilities of black phosphorus monolayer toward nitrogen dioxide: periodic DFT calculations M Ghadiri, M Ghashghaee, M Ghambarian Molecular Simulation 46 (14), 1062-1072, 2020 | 36 | 2020 |
| Substitutional doping of black phosphorene with boron, nitrogen, and arsenic for sulfur trioxide detection: a theoretical perspective M Ghashghaee, Z Azizi, M Ghambarian Journal of Sulfur Chemistry 41 (4), 399-420, 2020 | 36 | 2020 |
| Molecular-level insights into furfural hydrogenation intermediates over single-atomic Cu catalysts on magnesia and silica nanoclusters M Ghashghaee, M Ghambarian, Z Azizi Molecular Simulation 45 (2), 154-163, 2019 | 36 | 2019 |
| Ethene protonation over silica-grafted metal (Cr, Mo, and W) oxide catalysts: a comparative nanocluster modeling study M Ghashghaee, M Ghambarian Russian Journal of Inorganic Chemistry 63, 1570-1577, 2018 | 36 | 2018 |
| Initiation of heterogeneous Schrock-type Mo and W oxide metathesis catalysts: a quantum thermochemical study M Ghashghaee, M Ghambarian Computational Materials Science 155, 197-208, 2018 | 36 | 2018 |
