| A DFT study on the interaction between 5-fluorouracil and B 12 N 12 nanocluster MB Javan, A Soltani, Z Azmoodeh, N Abdolahi, N Gholami RSC Advances 6 (106), 104513-104521, 2016 | 69 | 2016 |
| Electronic and optical properties of 5-AVA-functionalized BN nanoclusters: a DFT study A Soltani, A Sousaraei, MB Javan, M Eskandari, H Balakheyli New Journal of Chemistry 40 (8), 7018-7026, 2016 | 66 | 2016 |
| Adsorption of chemical warfare agents over C24 fullerene: effects of decoration of cobalt A Soltani, MB Javan, MT Baei, Z Azmoodeh Journal of Alloys and Compounds 735, 2148-2161, 2018 | 58 | 2018 |
| Interaction of hydrogen with Pd-and co-decorated C24 fullerenes: density functional theory study A Soltani, MB Javan, MS Hoseininezhad-Namin, N Tajabor, ET Lemeski, ... Synthetic Metals 234, 1-8, 2017 | 58 | 2017 |
| Carbon monoxide interactions with pure and doped B 11 XN 12 (X= Mg, Ge, Ga) nano-clusters: a theoretical study A Soltani, MB Javan RSC advances 5 (110), 90621-90631, 2015 | 58 | 2015 |
| Electronic and magnetic properties of monolayer SiC sheet doped with 3d-transition metals MB Javan Journal of Magnetism and Magnetic Materials 401, 656-661, 2016 | 57 | 2016 |
| Ga-doped and antisite double defects enhance the sensitivity of boron nitride nanotubes towards Soman and Chlorosoman MB Javan, A Soltani, AS Ghasemi, ET Lemeski, N Gholami, H Balakheyli Applied Surface Science 411, 1-10, 2017 | 53 | 2017 |
| Serine adsorption through different functionalities on the B12N12 and Pt-B12N12 nanocages A Soltani, MR Taghartapeh, V Erfani-Moghadam, MB Javan, F Heidari, ... Materials Science and Engineering: C 92, 216-227, 2018 | 49 | 2018 |
| Investigations of adsorption behavior and anti-cancer activity of curcumin on pure and platinum-functionalized B12N12 nanocages Y Cao, A Khan, H Mirzaei, SR Khandoozi, M Javan, ANK Lup, A Norouzi, ... Journal of Molecular Liquids 334, 116516, 2021 | 46 | 2021 |
| A comparative theoretical study on the interaction of pure and carbon atom substituted boron nitride fullerenes with ifosfamide drug A Soltani, E Tazikeh-Lemeski, MB Javan Journal of Molecular Liquids 297, 111894, 2020 | 46 | 2020 |
| Influence of 3d transition metals (Fe, Co) on the structural, electrical and magnetic properties of C60 nano-cage MB Javan, N Tajabor, M Behdani, MR Rokn-Abadi Physica B: Condensed Matter 405 (24), 4937-4942, 2010 | 46 | 2010 |
| Interaction of B12N12 nano-cage with cysteine through various functionalities: a DFT study MB Javan, A Soltani, ET Lemeski, A Ahmadi, SM Rad Superlattices and Microstructures 100, 24-37, 2016 | 43 | 2016 |
| Gold decorated B12N12 nanocluster as an effective sulfasalazine drug carrier: a theoretical investigation N Abdolahi, P Singla, A Soltani, M Javan, M Aghaei, F Heidari, S Sedighi Physica E: Low-Dimensional Systems and Nanostructures 124, 114296, 2020 | 42 | 2020 |
| Exploring adsorption mechanism of hydrogen cyanide and cyanogen chloride molecules on arsenene nanoribbon from first-principles R Bhuvaneswari, V Nagarajan, R Chandiramouli Journal of Molecular Graphics and Modelling 89, 13-21, 2019 | 38 | 2019 |
| Improvement of anti-inflammatory and anticancer activities of poly (lactic-co-glycolic acid)-sulfasalazine microparticle via density functional theory, molecular docking and … A Soltani, A Khan, H Mirzaei, M Onaq, M Javan, S Tavassoli, ... Arabian Journal of Chemistry 15 (1), 103464, 2022 | 34 | 2022 |
| Structural, electronic and magnetic properties of Fen@ C60 and Fen@ C80 (n= 2–7) endohedral metallofullerene nano-cages: First principles study MB Javan, N Tajabor Journal of magnetism and magnetic materials 324 (1), 52-59, 2012 | 32 | 2012 |
| Adsorption and dissociation of H2 on Pd doped graphene-like SiC sheet MB Javan, AH Shirdel-Havar, A Soltani, F Pourarian international journal of hydrogen energy 41 (48), 22886-22898, 2016 | 31 | 2016 |
| Theoretical study on pure and doped B12N12 fullerenes as thiophene sensor E Tazikeh-Lemeski, A Soltani, MT Baei, MB Javan, SM Rad Adsorption 24, 585-593, 2018 | 29 | 2018 |
| Adsorption of CO and NO molecules on SiC nanotubes and nanocages: DFT study MB Javan Surface Science 635, 128-142, 2015 | 29 | 2015 |
| Investigations of adsorption behavior and anti-inflammatory activity of glycine functionalized Al12N12 and Al12ON11 fullerene-like cages M Aghaei, M Ramezanitaghartapeh, M Javan, MS Hoseininezhad-Namin, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 246, 119023, 2021 | 27 | 2021 |
