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46 ta ish

Ish: Reactive molecular dynamics study of methotrexate degradation by non-thermal plasma

  1. Molecular dynamics with coupling to an external bath

    Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren +2

    Maqola198434 iqtibos
    ABI

  2. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

    B. Hourahine, Bálint Aradi, Volker Blüm +36

    Maqola202014 iqtibos
    ABI

  3. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

    Marcus Elstner, D. Porezag, G. Jungnickel +5

    Maqola199812 iqtibos
    ABI

  4. Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems

    Maximilian Kubillus, Tomáš Kubař, Michael Gaus +2

    Maqola20149 iqtibos
    ABI

  5. Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications

    Michael Gaus, Xiya Lu, Marcus Elstner +1

    Maqola20149 iqtibos
    ABI

  6. DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method

    Bálint Aradi, B. Hourahine, Thomas Frauenheim

    Maqola20078 iqtibos
    ABI

  7. Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma

    Maksudbek Yusupov, Debbie Dewaele, Pankaj Attri +3

    MaqolaPlasma Applications and DiagnosticsPlasma Processes and Polymers20228 iqtibos
    ABI

  8. Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls

    Maksudbek Yusupov, Erik C. Neyts, Umedjon Khalilov +3

    Maqola20126 iqtibos
    ABI

  9. Plasma-Induced Destruction of Bacterial Cell Wall Components: A Reactive Molecular Dynamics Simulation

    Maksudbek Yusupov, Annemie Bogaerts, Stijn Huygh +3

    Maqola20136 iqtibos
    ABI

  10. The fate of plasma-generated oxygen atoms in aqueous solutions: non-equilibrium atmospheric pressure plasmas as an efficient source of atomic O<sub>(aq)</sub>

    Jan Benedikt, Mohamed Mokhtar Hefny, Alexander Shaw +4

    Maqola20186 iqtibos
    ABI

  11. Understanding the effect of morphological change on photocatalytic activity of ZnO nanostructures and reaction mechanism by molecular dynamics

    Amugul Esbergenova, Maksudbek Yusupov, Maryam Ghasemitarei +3

    MaqolaZnO doping and propertiesColloids and Surfaces A Physicochemical and Engineering Aspects20234 iqtibos
    ABI

  12. Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate

    Francesco Tampieri, Albert Espona‐Noguera, Cédric Labay +4

    MaqolaPlasma Applications and DiagnosticsBiomaterials Science20234 iqtibos
    ABI

  13. <scp>d</scp>-Glucose Oxidation by Cold Atmospheric Plasma-Induced Reactive Species

    Mohsen Ahmadi, Zahra Nasri, Thomas von Woedtke +1

    Maqola20223 iqtibos
    ABI

  14. Cold plasma technology: advanced and sustainable approach for wastewater treatment

    Prateek Gururani, Pooja Bhatnagar, Bhawna Bisht +4

    Sharh maqola20213 iqtibos
    ABI

  15. Application of non-thermal plasma reactor and Fenton reaction for degradation of ibuprofen

    Marijana Marković, Milica Jović, Dalibor Stanković +4

    Maqola20142 iqtibos
    ABI

  16. The role of bicarbonate anions in methotrexate degradation via UV/TiO 2 : Mechanisms, reactivity and increased toxicity

    Webber Wei-Po Lai, Ming-Hao Hsu, Angela Yu‐Chen Lin

    Maqola20172 iqtibos
    ABI

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    Boshqa1 iqtibos
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  25. Sarlavhasiz

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