| Graphene and anticorrosive properties K Kakaei, MD Esrafili, A Ehsani Interface science and technology 27, 303-337, 2019 | 128 | 2019 |
| New page to access pyridine derivatives: synthesis from N-propargylamines E Vessally, A Hosseinian, L Edjlali, A Bekhradnia, MD Esrafili RSC advances 6 (75), 71662-71675, 2016 | 106 | 2016 |
| A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster E Vessally, MD Esrafili, R Nurazar, P Nematollahi, A Bekhradnia Structural Chemistry 28, 735-748, 2017 | 94 | 2017 |
| A density functional theory study on the adsorption and decomposition of methanol on B12N12 fullerene-like nanocage MD Esrafili, R Nurazar Superlattices and Microstructures 67, 54-60, 2014 | 87 | 2014 |
| Novel routes to quinoline derivatives from N-propargylamines E Vessally, L Edjlali, A Hosseinian, A Bekhradnia, MD Esrafili RSC advances 6 (55), 49730-49746, 2016 | 85 | 2016 |
| Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study MD Esrafili, S Asadollahi Applied Surface Science 463, 526-534, 2019 | 82 | 2019 |
| Hybrid sol-gel coatings based on silanes-amino acids for corrosion protection of AZ91 magnesium alloy: Electrochemical and DFT insights H Ashassi-Sorkhabi, S Moradi-Alavian, MD Esrafili, A Kazempour Progress in Organic Coatings 131, 191-202, 2019 | 80 | 2019 |
| A Comparative Study of CO Oxidation on Nitrogen‐and Phosphorus‐Doped Graphene MD Esrafili, R Mohammad‐Valipour, SM Mousavi‐Khoshdel, ... ChemPhysChem 16 (17), 3719-3727, 2015 | 76 | 2015 |
| Characteristics and nature of halogen bonds in linear clusters of NCX (X= Cl, and Br): an ab initio, NBO and QTAIM study MD Esrafili, NL Hadipour Molecular Physics 109 (20), 2451-2460, 2011 | 75 | 2011 |
| Theoretical insights into hydrogenation of CO2 to formic acid over a single Co atom incorporated nitrogen-doped graphene: A DFT study MD Esrafili, B Nejadebrahimi Applied Surface Science 475, 363-371, 2019 | 74 | 2019 |
| Functional group effect of isoreticular metal–organic frameworks on heavy metal ion adsorption L Esrafili, V Safarifard, E Tahmasebi, MD Esrafili, A Morsali New Journal of Chemistry 42 (11), 8864-8873, 2018 | 73 | 2018 |
| A comparative DFT study on the CO oxidation reaction over Al-and Ge-embedded graphene as efficient metal-free catalysts MD Esrafili, P Nematollahi, H Abdollahpour Applied Surface Science 378, 418-425, 2016 | 73 | 2016 |
| Introduction to catalysis K Kakaei, MD Esrafili, A Ehsani Interface science and technology 27, 1-21, 2019 | 72 | 2019 |
| Investigation of H-bonding and halogen-bonding effects in dichloroacetic acid: DFT calculations of NQR parameters and QTAIM analysis MD Esrafili Journal of molecular modeling 18, 5005-5016, 2012 | 72 | 2012 |
| Methylamine adsorption and decomposition on B12N12 nanocage: A density functional theory study MD Esrafili, R Nurazar Surface science 626, 44-48, 2014 | 71 | 2014 |
| Preparation and characterization of a new waste-derived mesoporous carbon structure for ultrahigh adsorption of benzene and toluene at ambient conditions NHMH Tehrani, MS Alivand, A Rashidi, KR Shamskar, M Samipoorgiri, ... Journal of hazardous materials 384, 121317, 2020 | 70 | 2020 |
| Insights into the strength and nature of carbene··· halogen bond interactions: a theoretical perspective MD Esrafili, N Mohammadirad Journal of molecular modeling 19, 2559-2566, 2013 | 70 | 2013 |
| Nitrogen-doped (6, 0) carbon nanotubes: a comparative DFT study based on surface reactivity descriptors MD Esrafili Computational and Theoretical Chemistry 1015, 1-7, 2013 | 68 | 2013 |
| Potential of C-doped boron nitride fullerene as a catalyst for methanol dehydrogenation MD Esrafili, R Nurazar Computational materials science 92, 172-177, 2014 | 65 | 2014 |
| Graphene-based electrochemical supercapacitors K Kakaei, MD Esrafili, A Ehsani Interface science and technology 27, 339-386, 2019 | 63 | 2019 |
