Search Results - "DFT calculation"

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  1. 21
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    Simulation and Modeling of Nanomaterials

    Published 2022
    Subjects: “…DFT calculations…”
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  2. 22
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    From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

    Published 2022
    Subjects: “…DFT calculations…”
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  3. 23
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    Supramolecular Chemistry in the 3rd Millennium

    Published 2021
    Subjects: “…DFT calculations…”
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  4. 24
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    Nitrogen-Containing Molecules: Natural and Synthetic Products Including Coordination Compounds

    Published 2021
    Subjects: “…DFT calculations…”
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  5. 25
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    Advanced Materials in Catalysis and Adsorption

    Published 2023
    Subjects: “…DFT calculations…”
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  6. 26
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    Advances in Near Infrared Spectroscopy and Related Computational Methods by Bec, Krzysztof B.

    Published 2020
    Subjects: “…DFT calculations…”
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