Search Results - "DFT"

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  1. 21
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    Organophosphorus Chemistry 2018 by Keglevich, György

    Published 2020
    Subjects: “…DFT…”
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  2. 22
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    Pharmaceutical Crystals by Uekusa, Hidehiro

    Published 2020
    Subjects: “…DFT…”
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  3. 23
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    Zeolites as Catalysts: Applications in Chemical Engineering, Energy Sources and Environmental Protection

    Published 2023
    Subjects: “…DFT calculation…”
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  4. 24
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    The Application of Quantum Mechanics in Reactivity of Molecules

    Published 2021
    Subjects: “…DFT…”
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  5. 25
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    Non-covalent Interactions in Coordination and Organometallic Chemistry

    Published 2022
    Subjects: “…TD-DFT…”
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  6. 26
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    Novel Photoactive Materials by Diamanti, Maria Vittoria

    Published 2019
    Subjects: “…density functional theory (DFT)…”
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  7. 27
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    Advanced Mathematical Methods: Theory and Applications by Giusti, Andrea

    Published 2020
    Subjects: “…multidimensional DFT…”
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  8. 28
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    Carbon Ligands From Fundamental Aspects to Applications

    Published 2021
    Subjects: “…DFT calculations…”
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  9. 29
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    Simulation and Modeling of Nanomaterials

    Published 2022
    Subjects: “…DFT…”
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  10. 30
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    First-Principles Prediction of Structures and Properties in Crystals by Kurzydlowski, Dominik

    Published 2019
    Subjects: “…DFT…”
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  11. 31
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    A Themed Issue of Functional Molecule-based Magnets: Dedicated to Professor Masahiro Yamashita on the Occasion of his 65th Birthday by Katoh, Keiichi

    Published 2020
    Subjects: “…DFT calculation…”
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  12. 32
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    Molecular Electronics

    Published 2021
    Subjects: “…DFT + Σ…”
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  13. 33
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    Synthesis of Flavonoids or Other Nature-Inspired Small Molecules

    Published 2022
    Subjects: “…DFT calculation…”
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  14. 34
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    Research on Polyoxometalate Materials

    Published 2023
    Subjects: “…DFT…”
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  15. 35
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    Fundamentals and Recent Advances in Epitaxial Graphene on SiC

    Published 2021
    Subjects: “…DFT…”
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  16. 36
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    New Trends on Vanadium Chemistry, Biochemistry, and Medicinal Chemistry

    Published 2022
    Subjects: “…DFT…”
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  17. 37
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    Marine Engines Performance and Emissions II

    Published 2023
    Subjects: “…DFT leakage…”
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  18. 38
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    Glutathione: Chemistry and Biochemistry

    Published 2023
    Subjects: “…DFT…”
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  19. 39
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    Modularity and Twinning in Mineral Crystal Structures

    Published 2021
    Subjects: “…DFT…”
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  20. 40
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    Carborane: Dedicated to the Work of Professor Alan Welch

    Published 2022
    Subjects: “…DFT…”
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