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40 та иш

Иш: Theoretical investigation of the adsorption behaviors of mercaptopurine drug on the Pd and Pt functionalized MoSe2 nanosheets: Applications to drug delivery systems

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  3. Self-Consistent Equations Including Exchange and Correlation Effects

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  4. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

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  6. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

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  7. Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation

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  8. Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices

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  9. Rh-doped MoSe<sub>2</sub> as a toxic gas scavenger: a first-principles study

    Hao Cui, Guozhi Zhang, Xiaoxing Zhang +1

    Мақола20184 иқтибос
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  10. Adsorption of CO and NO molecules on Al, P and Si embedded MoS2 nanosheets investigated by DFT calculations

    Amirali Abbasi, Amira Abdelrasoul, Jaber Jahanbin Sardroodi

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  11. Computational and Theoretical Chemistry

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  12. Adsorption and sensing properties of TiO2-modified MoSe2 monolayer for SF6 decomposition components based on the first-principles

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  13. Thermally Driven Crossover from Indirect toward Direct Bandgap in 2D Semiconductors: MoSe<sub>2</sub> versus MoS<sub>2</sub>

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  14. Investigation of aluminum nitride nanocarrier for drug delivery process of Favipiravir: A DFT study

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  15. Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations

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  16. Gas-sensing mechanism of Cr doped SnP3 monolayer to SF6 partial discharge decomposition components

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  17. A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs

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