| A novel candidate for hydrogen storage: Ca-decorated zigzag C3N nanotube F Molani, S Jalili, J Schofield international journal of hydrogen energy 41 (18), 7431-7437, 2016 | 31 | 2016 |
| Dinuclear and tetranuclear copper (I) iodide complexes with P and P^ N donor ligands: Structural and photoluminescence studies A Neshat, RB Aghakhanpour, P Mastrorilli, S Todisco, F Molani, ... Polyhedron 154, 217-228, 2018 | 25 | 2018 |
| Role of defects on structural and electronic properties of zigzag C3N nanotubes: a first-principle study S Jalili, F Molani, M Akhavan, J Schofield Physica E: Low-dimensional Systems and Nanostructures 56, 48-54, 2014 | 18 | 2014 |
| Al-doped B80 fullerene as a suitable candidate for H2, CH4, and CO2 adsorption for clean energy applications F Molani, S Jalili, J Schofield Journal of Saudi Chemical Society 22 (1), 49-57, 2018 | 15 | 2018 |
| Ti-coated BC2N nanotubes as hydrogen storage materials S Jalili, F Molani, J Schofield Canadian Journal of Chemistry 91 (7), 598-604, 2013 | 15 | 2013 |
| A DFT study on the structural and electronic properties of small toxic gases on B- and Al- doped C20 fullerene F Molani, M Askari Journal of Structural Chemistry 58, 657-666, 2017 | 12 | 2017 |
| A nano-bio-eco interaction to synthesis of gold nanoparticles using Tribulus terrestris extract and its antibacterial activity F Molani, F Veisi, S Mohammadiazar Advanced Journal of Chemistry-Section A 4 (3), 197-205, 2021 | 9 | 2021 |
| The effect of C, Si, N, and P impurities on structural and electronic properties of armchair boron nanotube F Molani Journal of Nanostructure in Chemistry 7 (3), 243-248, 2017 | 7 | 2017 |
| First principles study on energetic, structural, and electronic properties of defective g-C3N4-zz3 nanotubes S Jalili, F Molani, J Schofield Journal of Theoretical and Computational Chemistry 13 (04), 1450021, 2014 | 7 | 2014 |
| Combining QM/MM Calculations with Classical Mining Minima to Predict Protein–Ligand Binding Free Energy F Molani, S Webb, AE Cho Journal of Chemical Information and Modeling 63 (9), 2728-2734, 2023 | 6 | 2023 |
| Study the single-atom Mn-doped catalysts on boron nitride sheet surface as cathode for oxygen reduction reaction in proton‐exchange membrane fuel cells CY Hsu, SK Saraswat, AA Lagum, AM Al-Ma'abreh, F Molani, ... Sustainable Chemistry and Pharmacy 33, 101115, 2023 | 4 | 2023 |
| Designing a promising sensor for SF6 decomposed gases by using platinum doped-aluminum nitride nanotubes JY Uwamungu, A Kumar, SK Hachim, ZS Abbas, AS Jaber, F Molani, ... Inorganic Chemistry Communications 153, 110743, 2023 | 3 | 2023 |
| Thermal-assisted synthesis of gold nanoparticles using aqueous extract of Helicteres isora L. fruit: characterization and antioxidant activity S Mohammadiazar, M Maham, F Molani Chemical Physics Letters 793, 139483, 2022 | 3 | 2022 |
| A computational study of platinum adsorption on defective and non-defective silicon carbide nanotubes F Molani, S Jalili, J Schofield Monatshefte für Chemie-Chemical Monthly 146, 883-890, 2015 | 3 | 2015 |
| Computational study of interaction of alkali metals with C3N nanotubes F Molani, S Jalili, J Schofield Journal of molecular modeling 21, 1-7, 2015 | 3 | 2015 |
| The impact of Si and Cu doping upon the sensing capability of BN nano-tube in detecting diazomethane A Kumar, MM Sabugaa, N Ulloa, M Moreno, SK Vargas-Portugal, ... Solid State Communications 371, 115231, 2023 | 1 | 2023 |
| Study of Adsorption of Gases on Boron Nanotube using Density Functional Theory F Molani, S Jalili to BORON, 56, 2011 | 1 | 2011 |
| Correction to “Combining QM/MM Calculations with Classical Mining Minima to Predict Protein–Ligand Binding Free Energy” F Molani, S Webb, AE Cho Journal of Chemical Information and Modeling 64 (3), 1105-1105, 2024 | | 2024 |
| Green and quick synthesis of gold nanoparticles using apple fruit peel extract A Behravesh, S Mohamadi azar, F Molani 18th Iranian Physical Chemistry Conference, 773-774, 2016 | | 2016 |
| ADSORPTION OF H2, CO, CH4, HCN, NH3, AND NO2 ON AL-DOPED C60 FULLERENE: A DFT STUDY K Azizi, F Molani | | 2015 |
