Graphene Young’s modulus: Molecular mechanics and DFT treatments F Memarian, A Fereidoon, MD Ganji Superlattices and Microstructures 85, 348-356, 2015 | 122 | 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 | 120 | 2015 |
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 | 111 | 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 | 108 | 2009 |
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 | 81 | 2007 |
Theoretical investigation of methane adsorption onto boron nitride and carbon nanotubes MD Ganji, A Mirnejad, A Najafi Science and Technology of Advanced Materials, 2010 | 80 | 2010 |
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 | 78 | 2010 |
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 | 74 | 2017 |
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 | 74 | 2015 |
Theoretical study of the adsorption of CO2 on tungsten carbide nanotubes MD Ganji Physics Letters A 372 (18), 3277-3282, 2008 | 69 | 2008 |
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 | 47 | 2018 |
Nerve agents interacting with single wall carbon nanotubes: Density functional calculations MD Ganji, M Tajbakhsh, M Laffafchy Solid State Sciences 12 (9), 1547-1553, 2010 | 47 | 2010 |
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 | 46 | 2012 |
Electronic and mechanical properties of single-walled carbon nanotubes interacting with epoxy: A DFT study MG Ahangari, A Fereidoon, M Jahanshahi, MD Ganji Physica E: Low-dimensional Systems and Nanostructures 48, 148-156, 2013 | 45 | 2013 |
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 | 44 | 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 | 42 | 2017 |
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 | 41 | 2022 |
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 | 39 | 2015 |
Adsorption of H2S molecules on non-carbonic and decorated carbonic graphenes: A van der Waals density functional study MD Ganji, N Sharifi, MG Ahangari Computational materials science 92, 127-134, 2014 | 39 | 2014 |
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 | 38 | 2022 |