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Mehdi D. Esrafili

11 ta ish

University of Maragheh

AkademScholarda batafsil koʻrsatkichlar

  1. Effects of B and N doping/codoping on the adsorption behavior of C60 fullerene towards aspirin: A DFT investigation

    Fateme Nattagh, Sharieh Hosseini, Mehdi D. Esrafili

    Maqola20216 iqtibos
    ABI

  2. Prolonged corrosion protection via application of 4-ferrocenylbutyl saturated carboxylate ester derivatives with superior inhibition performance for mild steel

    Hajar Jamali, Saleh Moradi‐Alavian, Elnaz Asghari +3

    MaqolaOchiq kirish20244 iqtibos
    ABI

  3. Pristine and Ti- or Al-doped B3CN4 nanosheets as efficient anodes for Mg-ion batteries: A DFT study

    Sakineh Heidari, Mehdi D. Esrafili, Jaber Jahanbin Sardroodi

    Maqola20244 iqtibos
    ABI

  4. Efficient hydrogen storage on Al decorated C<sub>24</sub>N<sub>24</sub>: a DFT study

    Mehdi D. Esrafili, Parisasadat Mousavian

    Maqola20213 iqtibos
    ABI

  5. DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes

    Mehdi D. Esrafili, Nasibeh Saeidi

    Maqola20152 iqtibos
    ABI

  6. An<i>ab initio</i>study on the nature of σ-hole interactions in pnicogen-bonded complexes with carbene as an electron donor

    Mehdi D. Esrafili, Fariba Mohammadian‐Sabet, Esmail Vessally

    Maqola20162 iqtibos
    ABI

  7. A first-principles study on the adsorption behaviour of methanol and ethanol over C<sub>59</sub>B heterofullerene

    Mehdi D. Esrafili, Nafiseh Mohammadirad

    Maqola20172 iqtibos
    ABI

  8. Methane oxidation into methanol catalyzed by TM-anchored C24N24 nanoclusters (TM = Fe, Co and Ni): A DFT study

    Parisasadat Mousavian, Mehdi D. Esrafili

    Maqola20202 iqtibos
    ABI

  9. Ca coated B40 fullerene: A promising material for CO2 storage and separation

    Mehdi D. Esrafili, Parisasadat Mousavian

    Maqola20212 iqtibos
    ABI

  10. A computational study of CH4 storage on Sc functionalized C48B12 heterofullerene

    Parisasadat Mousavian, Mehdi D. Esrafili, Jaber Jahanbin Sardroodi

    Maqola20222 iqtibos
    ABI

  11. Y decorated all-boron B38 nanocluster for reversible molecular hydrogen storage: A first-principles investigation

    Mehdi D. Esrafili, Shabnam Sadeghi

    Maqola20222 iqtibos
    ABI