| 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-Bozorgi, N A Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2018 | 50 | 2018 |
| 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 | 45 | 2021 |
| Theoretical assessment of the solvent effect on the functionalization of Au32 and C60 nanocages with fluorouracil drug MDG Mahsa Sabet, Sepideh Tanreh, Arezoo Khosravi, Mohammad Astaraki, Mahyar ... Diamond and Related Materials, 109142, 2022 | 42 | 2022 |
| 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 |
| Understanding delivery and adsorption of Flutamide drug with ZnONS based on: Dispersion-corrected DFT calculations and MD simulations P Niknam, S Jamehbozorgi, M Rezvani, V Izadkhah Physica E: Low-Dimensional Systems and Nanostructures 135, 114937, 2022 | 37 | 2022 |
| A comparative study of structural and electronic properties of formaldehyde molecule on monolayer honeycomb structures based on vdW-DF prospective MD Ganji, S Jameh-Bozorgi, M Rezvani Applied Surface Science 384, 175-181, 2016 | 36 | 2016 |
| Encapsulation of lamivudine into single walled carbon nanotubes: A vdW-DF study M Rezvani, MD Ganji, M Faghihnasiri Physica E: Low-dimensional Systems and Nanostructures 52, 27-33, 2013 | 36 | 2013 |
| Boron nitride nanotube based nanosensor for acetone adsorption: a DFT simulation MD Ganji, M Rezvani Journal of Molecular Modeling 19, 1259-1265, 2013 | 34 | 2013 |
| Computational investigation on the geometry and electronic structures and absorption spectra of metal-porphyrin-oligo-phenyleneethynylenes-[60] fullerene triads MT Moghim, S Jamehbozorgi, M Rezvani, M Ramezani Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 280, 121488, 2022 | 26 | 2022 |
| Theoretical investigations of functionalization of graphene and ZnO monolayers with mercaptopurine at aqueous media: A dispersion-corrected DFT calculations and molecular … A Aghahosseini, L Edjlali, S Jamehbozorgi, M Rezvani, E Ghasemi Journal of Molecular Liquids 369, 120865, 2023 | 25 | 2023 |
| Ammonia adsorption on SiC nanotubes: a density functional theory investigation MD Ganji, N Seyed-Aghaei, MM Taghavi, M Rezvani, F Kazempour Fullerenes, Nanotubes, and Carbon Nanostructures 19 (4), 289-299, 2011 | 25 | 2011 |
| Toward efficient enantioseparation of ibuprofen isomers using chiral BNNTs: Dispersion corrected DFT calculations and DFTB molecular dynamic simulations M Rasoolidanesh, M Astaraki, M Mostafavi, M Rezvani, MD Ganji Diamond and Related Materials 119, 108561, 2021 | 22 | 2021 |
| Molecular simulation investigations on interaction properties of the teriflunomide–chitosan complex in aqueous solution S Tanreh, M Rezvani, MD Ganji Journal of Physics and Chemistry of Solids 174, 111171, 2023 | 21 | 2023 |
| 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 | 21 | 2023 |
| First-principles vdW-DF investigation on the interaction between the oxazepam molecule and C60 fullerene MD Ganji, M Nashtahosseini, S Yeganegi, M Rezvani Journal of molecular modeling 19, 1929-1936, 2013 | 20 | 2013 |
| Theoretical treatment of interaction of pyrazinamide with graphene and h-SiC monolayer: A DFT-D3 study MD Moghaddam, S Jamehbozorgi, M Rezvani, V Izadkhah, MT Moghim Physica E: Low-Dimensional Systems and Nanostructures 138, 115077, 2022 | 19 | 2022 |
| Structural and electronic properties of metalloporphyrin (MP, M= Fe, Co and Zn) adsorbed on single walled BNNT and SiCNT M Rezvani, MD Ganji, S Jameh-Bozorghi Applied Surface Science 360, 69-76, 2016 | 19 | 2016 |
| Sensing behavior of hexagonal-aluminum nitride to phosgene molecule based on Van der Waals–density functional theory and molecular dynamic simulation T Banibairami, S Jamehbozorgi, R Ghiasi, M Rezvani Russian Journal of Physical Chemistry A 94, 581-589, 2020 | 15 | 2020 |
| The effect of encapsulation of lithium atom on supramolecular triad complexes performance in solar cell by using theoretical approach M Ghahramanpour, S Jamehbozorgi, M Rezvani Adsorption 26, 471-489, 2020 | 15 | 2020 |
| Spectrophotometric complexation of cephalosporins with palladium (II) chloride in aqueous and non-aqueous solvents AB Gh, M Rezvani, S Roshanzamir Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 89, 317-321, 2012 | 15 | 2012 |
Masoud Darvish GanjiKICET - Korea Institute of Ceramic Engineering and TechnologyVerified email at kicet.re.kr
