| ۲۱ | Defect based modulation of opto‐electronic properties for bio‐functionalized hexagonal boron nitride nanosheets | M. Shakourian-Fard- H. Heydari- G. Kamath | ChemPhysChem | 2017 |
| ۲۲ | The Effect of Defect Types on the Electronic and Optical Properties of Graphene Nanoflakes Physisorbed by Ionic Liquids | M. Shakourian-Fard- G. Kamath | Phys. Chem. Chem. Phys. | 2017 |
| ۲۳ | The effect of ionic liquid adsorption on the electronic and optical properties of fluorographene nanosheets | M. Shakourian-Fard- S.M. Taimoory- V. Semeniuchenko- G. Kamath- J.F. Trant | J. Mol. Liq. | 2018 |
| ۲۴ | The effect of sulfur and nitrogen/sulfur co-doping in graphene surface on the adsorption of toxic heavy metals (Cd, Hg, Pb) | H.R. Ghenaatian- M. Shakourian-Fard- G. Kamath | J Mater Sci | 2019 |
| ۲۵ | Tailoring of graphene quantum dots for toxic heavy metals detection | H.R. Ghenaatian- M. Shakourian‑Fard- M. Rohani Moghadam- G. Kamath- M. Rahmanian | Applied Physics A | 2019 |
| ۲۶ | Calcium-Ion Batteries: Identifying Ideal Electrolytes for Next-Generation Energy Storage Using Computational Analysis | M. Shakourian-Fard- G. Kamath- S.M. Taimoory- J.F. Trant | J. Phys. Chem. C | 2019 |
| ۲۷ | Structural and electronic properties of adsorbed nucleobases on Si-doped hexagonal boron nitride nanoflake: a computational study | B. Borhani- M. Mohsennia- M. Shakourian-Fard | Struct. Chem. | 2019 |
| ۲۸ | Theoretical study on the nature and strength of interaction of methylated DNA nucleobases with ionic liquids | M. Shakourian-Fard- H.R. Ghenaatian- Morteza Golmohammadi, | Nashrieh Shimi va Mohandesi Shimi Iran | 2022 |
| ۲۹ | Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study | M. Shakourian-Fard- H.R. Ghenaatian- G. Kamath- S.M. Taimoory | J. Mol. Liq. | 2020 |
| ۳۰ | Adsorption mechanism of toxic heavy metal ions on oxygen-passivated nanopores in graphene nanoflakes | H.R. Ghenaatian- M. Shakourian-Fard- G. Kamath | J Mater Sci | 2020 |
| ۳۱ | Interaction of Cun, Agn and Aun (n = 1-4) nanoparticles with ChCl:Urea deep eutectic solvent | H. R. Ghenaatian- M. Shakourian-Fard- G. Kamath | J. Mol. Graph. Model. | 2021 |
| ۳۲ | Chemical structure based models for prediction of deep eutectic solvents densities | A. Khajeh- M. Shakourian-Fard | J. Mol. Liq. | 2021 |
| ۳۳ | Refractive index prediction of deep eutectic solvents by molecular approaches | A. Khajeh- K. Parvaneh- M. Shakourian-Fard | J. Mol. Liq. | 2021 |
| ۳۴ | A DFT study of the adsorption of deep eutectic solvents onto graphene and defective graphene nanoflakes | M. Shakourian-Fard- S.M. Taimoory- H.R. Ghenaatian- G. Kamath- J.F. Trant | J. Mol. Liq. | 2021 |
| ۳۵ | Quantitative structure-property relationship for melting and freezing points of deep eutectic solvents | A. Khajeh- M. Shakourian-Fard- K. Parvaneh | J. Mol. Liq. | 2021 |
| ۳۶ | Density functional theory investigation into the interaction of deep eutectic solvents with amino acids | M. Shakourian-Fard- H.R. Ghenaatian- V. Alizadeh- G. Kamath- B. Khalili | J. Mol. Liq. | 2021 |
| ۳۷ | Effect of mono-vacant defects on the adsorption properties of deep eutectic solvents onto hexagonal boron-nitride nanoflakes | M. Shakourian-Fard- S. Maryamdokht Taimoory- H.R. Ghenaatiand- G. Kamath J.F. Trant | J. Mol. Liq. | 2022 |
| ۳۸ | The interaction of deep eutectic solvents with pristine carbon nanotubes and their associated defects: A density functional theory study | H.R. Ghenaatian- M. Shakourian-Fard- G. Kamath- J.F. Trant- F.S. Mjalli | J. Mol. Liq. | 2022 |
| ۳۹ | DFT study of interaction of Palladium Pdn (n = 1-6) nanoparticles with deep eutectic solvents | H.R. Ghenaatian- M. Shakourian-Fard- V. Alizadeh- G. Kamath | J. Mol. Graph. Model | 2022 |
| ۴۰ | Experimental and theoretical study of the physicochemical properties of the novel imidazole-based eutectic solvent | F.S. Mjalli- M. Shakourian-Fard- G. Kamath- G. Murshid- J. Naser- S.Al Ma'awali | J. Mol. Graph. Model. | 2023 |