| BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception R Rahimi, M Solimannejad Applied Surface Science 525, 146577, 2020 | 52 | 2020 |
| Empowering hydrogen storage performance of B4C3 monolayer through decoration with lithium: A DFT study R Rahimi, M Solimannejad Surfaces and Interfaces 29, 101723, 2022 | 37 | 2022 |
| High-Performance Hydrogen Storage Properties of Li-Decorated B2N2 Nanosheets: A Periodic Density Functional Theory Study R Rahimi, M Solimannejad Energy & Fuels 35 (8), 6858-6867, 2021 | 36 | 2021 |
| Hydrogen storage on pristine and Li-decorated BC6N monolayer from first-principles insights R Rahimi, M Solimannejad Molecular Physics 119 (5), e1827177, 2021 | 27 | 2021 |
| First-principles study of superior hydrogen storage performance of Li-decorated Be2N6 monolayer R Rahimi, M Solimannejad International Journal of Hydrogen Energy 45 (38), 19465-19478, 2020 | 27 | 2020 |
| First-principles survey on the pristine BC2N monolayer as a promising vehicle for delivery of β-lapachone anticancer drug R Rahimi, M Solimannejad Journal of Molecular Liquids 321, 114917, 2021 | 26 | 2021 |
| Li‐decorated Al2C monolayer as a potential template for hydrogen storage: A first‐principles perspective R Rahimi, M Solimannejad International Journal of Quantum Chemistry 121 (6), e26528, 2021 | 25 | 2021 |
| Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook R Rahimi, M Solimannejad, A Chaudhari Journal of Hazardous Materials 403, 123600, 2021 | 25 | 2021 |
| Potential application of XC3 (X = B, N) nanosheets in drug delivery of hydroxyurea anticancer drug: a comparative DFT study R Rahimi, M Solimannejad, Z Ehsanfar Molecular Physics 120 (6), e2014587, 2022 | 24 | 2022 |
| Pristine B3CN4 monolayer for hydrogen storage: A first-principles approach R Rahimi, M Solimannejad, A Chaudhari Physics Letters A 391, 127116, 2021 | 24 | 2021 |
| Periodic DFT insights into hydrogen storage of a B4CN3 nanosheet R Rahimi, M Solimannejad New Journal of Chemistry 45 (5), 2463-2469, 2021 | 23 | 2021 |
| B3O3 monolayer with dual application in sensing of COVID-19 biomarkers and drug delivery for treatment purposes: A periodic DFT study R Rahimi, M Solimannejad Journal of Molecular Liquids 354, 118855, 2022 | 22 | 2022 |
| B 3 O 3 monolayer: an emerging 2D material for CO 2 capture R Rahimi, M Solimannejad New Journal of Chemistry 45 (34), 15328-15335, 2021 | 21 | 2021 |
| Adsorption of chloroquine and hydroxychloroquine as potential drugs for SARS-CoV-2 infection on BC 3 nanosheets: a DFT study R Rahimi, M Solimannejad, M Farghadani New Journal of Chemistry 45 (38), 17976-17983, 2021 | 19 | 2021 |
| First-principles studies on two-dimensional B3O3 adsorbent as a potential drug delivery platform for TEPA anticancer drug R Rahimi, M Solimannejad, Z Ehsanfar Journal of Molecular Modeling 27, 1-10, 2021 | 18 | 2021 |
| A computational study for the B30 bowl-like nanostructure as a possible candidate for drug delivery system for amantadine Z Noroozi, R Rahimi, M Solimannejad Computational and Theoretical Chemistry 1129, 9-15, 2018 | 17 | 2018 |
| Gas-sensing performance of BC 3 nanotubes for detecting poisonous cyanogen gas: a periodic DFT approach R Rahimi, M Solimannejad New Journal of Chemistry 45 (26), 11574-11584, 2021 | 16 | 2021 |
| Nonlinear Optical (NLO) Response of Si12C12 Nanocage Decorated with Alkali Metals (M = Li, Na and K): A Theoretical Study M Solimannejad, R Rahimi, S Kamalinahad Journal of Inorganic and Organometallic Polymers and Materials 27, 1234-1242, 2017 | 16 | 2017 |
| Adsorption of rare gases on the C20 nanocage: a theoretical investigation R Rahimi, S Kamalinahad, M Solimannejad Materials Research Express 5 (3), 035006, 2018 | 14 | 2018 |
| Sensing ability of 2D Al2C monolayer toward toxic pnictogen hydrides: A first-principles perspective R Rahimi, M Solimannejad Sensors and Actuators A: Physical 331, 113000, 2021 | 13 | 2021 |
Mohammad SolimannejadProfessor of Computational Quantum Chemistry, Arak UniversityVerified email at araku.ac.ir
