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12 works

Work: Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

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

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

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  5. Magnetic and reusable Fe3O4/PPE-2 functional material for efficient photodegradation of organic dye

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  6. Preliminary study on degradation mechanisms of plasma-treated DR1 by atomistic simulations

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  7. Computer Simulations to Study the Mechanisms of Cold Plasma-Induced Degradation of Amoxicillin

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  8. Modeling Plasma-Induced Modifications in Alginate Biopolymers at the Atomic Scale

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    ArticlePlasma Applications and DiagnosticsThe Journal of Physical Chemistry C20251 citations
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  9. Main concepts and applications of DFTB approach

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  10. GrapheNet: a deep learning framework for predicting the physical and electronic properties of nanographenes using images

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  11. Reactive molecular dynamics study of methotrexate degradation by non-thermal plasma

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  12. Influence of encapsulated transition metal atoms on the hydrophilic properties of C84 fullerene: A computational study

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