| Graphene Young’s modulus: Molecular mechanics and DFT treatments F Memarian, A Fereidoon, MD Ganji Superlattices and Microstructures 85, 348-356, 2015 | 166 | 2015 |
| Theoretical insight into hydrogen adsorption onto graphene: a first-principles B3LYP-D3 study MD Ganji, SM Hosseini-Khah, Z Amini-Tabar Physical Chemistry Chemical Physics 17 (4), 2504-2511, 2015 | 155 | 2015 |
| Toward functionalization of ZnO nanotubes and monolayers with 5-aminolevulinic acid drugs as possible nanocarriers for drug delivery: a DFT based molecular dynamic simulation M Mohammadzaheri, S Jamehbozorgi, MD Ganji, M Rezvani, Z Javanshir Physical Chemistry Chemical Physics 25 (32), 21492-21508, 2023 | 121 | 2023 |
| Pt-decorated graphene as superior media for H2S adsorption: a first-principles study MD Ganji, N Sharifi, M Ardjmand, MG Ahangari Applied surface science 261, 697-704, 2012 | 118 | 2012 |
| Density functional theory based treatment of amino acids adsorption on single-walled carbon nanotubes MD Ganji Diamond and related materials 18 (4), 662-668, 2009 | 112 | 2009 |
| Trends of amino acid adsorption onto graphene and graphene oxide surfaces: a dispersion corrected DFT study HT Larijani, MD Ganji, M Jahanshahi RSC advances 5 (113), 92843-92857, 2015 | 94 | 2015 |
| Computational studies on the interactions of glycine amino acid with graphene, h-BN and h-SiC monolayers HT Larijani, M Jahanshahi, MD Ganji, MH Kiani Physical Chemistry Chemical Physics 19 (3), 1896-1908, 2017 | 93 | 2017 |
| B36N36 fullerene-like nanocages: A novel material for drug delivery MD Ganji, H Yazdani, A Mirnejad Physica E: Low-dimensional Systems and Nanostructures 42 (9), 2184-2189, 2010 | 87 | 2010 |
| DFT/TD-semiempirical study on the structural and electronic properties and absorption spectra of supramolecular fullerene-porphyrine-metalloporphyrine triads based dye … M Rezvani, MD Ganji, S Jameh-Bozorghi, A Niazi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 194, 57-66, 2018 | 86 | 2018 |
| Theoretical assessment of the solvent effect on the functionalization of Au32 and C60 nanocages with fluorouracil drug M Sabet, S Tanreh, A Khosravi, M Astaraki, M Rezvani, MD Ganji Diamond and Related Materials 126, 109142, 2022 | 83 | 2022 |
| Theoretical investigation of methane adsorption onto boron nitride and carbon nanotubes MD Ganji, A Mirnejad, A Najafi Science and technology of advanced materials 11 (4), 045001, 2010 | 83 | 2010 |
| Behavior of a single nitrogen molecule on the pentagon at a carbon nanotube tip: a first-principles study MD Ganji Nanotechnology 19 (2), 025709, 2007 | 80 | 2007 |
| Theoretical study of the adsorption of CO2 on tungsten carbide nanotubes MD Ganji Physics Letters A 372 (18), 3277-3282, 2008 | 74 | 2008 |
| Theoretical assessments on the interaction between amino acids and the g-Mg 3 N 2 monolayer: dispersion corrected DFT and DFT-MD simulations M Rezvani, M Astaraki, A Rahmanzadeh, MD Ganji Physical Chemistry Chemical Physics 23 (32), 17440-17452, 2021 | 66 | 2021 |
| Dispersion‒corrected DFT investigations on the interaction of glycine amino acid with metal organic framework MOF‒5 M Mostafavi, S Tanreh, M Astaraki, B Farjah, M Rasoolidanesh, ... Physica B: Condensed Matter 626, 413446, 2022 | 60 | 2022 |
| Density functional theory investigation of the mechanical properties of single-walled carbon nanotubes A Fereidoon, MG Ahangari, MD Ganji, M Jahanshahi Computational materials science 53 (1), 377-381, 2012 | 58 | 2012 |
| Si-decorated graphene: a promising media for molecular hydrogen storage MD Ganji, SN Emami, A Khosravi, M Abbasi Applied Surface Science 332, 105-111, 2015 | 55 | 2015 |
| Theoretical investigation of phenol adsorption on functionalized graphene using DFT calculations for effective removal of organic contaminants from wastewater Z Ghahghaey, M Hekmati, MD Ganji Journal of Molecular Liquids 324, 114777, 2021 | 51 | 2021 |
| Reactive molecular dynamic simulations on the gas separation performance of porous graphene membrane S Esfandiarpoor, M Fazli, MD Ganji Scientific Reports 7 (1), 16561, 2017 | 50 | 2017 |
| Corrosion protection performance of Laurhydrazide N′-propan-3-one (LHP) adsorbed on zinc surface: A DFT-MD simulation investigation A Rahmanzadeh, M Rezvani, MD Ganji, MT Moghim Materials Today Communications 36, 106946, 2023 | 49 | 2023 |
