Search Results - "Density Functional Theory"

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  1. 41
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    Calixarene Complexes: Synthesis, Properties and Applications

    Published 2021
    Subjects: “…density functional theory…”
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  2. 42
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    Properties of Transition Metals and Their Compounds at Extreme Conditions

    Published 2021
    Subjects: “…density-functional theory…”
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  3. 43
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    Electrocatalysts for Oxygen/Hydrogen-Involved Reactions

    Published 2022
    Subjects: “…density functional theory…”
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  4. 44
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    Amide Bond Activation by Szostak, Michal

    Published 2019
    Subjects: “…density functional theory…”
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  5. 45
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    Novel Photoactive Materials by Diamanti, Maria Vittoria

    Published 2019
    Subjects: “…density functional theory (DFT)…”
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  6. 46
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    2D Materials and Van der Waals Heterostructures Physics and Applications

    Published 2020
    Subjects: “…density functional theory…”
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  7. 47
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    Cyclodextrin Chemistry and Toxicology

    Published 2022
    Subjects: “…density functional theory (DFT)…”
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  8. 48
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    Modeling, Design and Optimization of Multiphase Systems in Minerals Processing by Cisternas, Luis A.

    Published 2020
    Subjects: “…density functional theory…”
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  9. 49
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    Thin Films for Energy Harvesting, Conversion, and Storage by Zhao, Xin

    Published 2019
    Subjects: “…density functional theory…”
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  10. 50
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    Transition Metals in Catalysis The Functional Relationship of Fe-S Clusters and Molybdenum or Tungsten Cofactor-Containing Enzyme Systems

    Published 2021
    Subjects: “…density functional theory…”
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  11. 51
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    Gulliver in the Country of Lilliput An Interplay of Noncovalent Interactions

    Published 2021
    Subjects: “…density functional theory…”
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  12. 52
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    Electron and Photon Interactions with Bio(Related) Molecules

    Published 2023
    Subjects: “…time-dependent density functional theory…”
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  13. 53
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    Magnetic Materials, Thin Films and Nanostructures

    Published 2023
    Subjects: “…density functional theory…”
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  14. 54
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    Physics of Ionic Conduction in Narrow Biological and Artificial Channels

    Published 2021
    Subjects: “…classical density functional theory…”
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  15. 55
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    Magnetic Nanomaterials

    Published 2022
    Subjects: “…density functional theory…”
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  16. 56
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    Electron and Photon Interactions with Bio(Related) Molecules

    Published 2023
    Subjects: “…time-dependent density functional theory…”
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  17. 57
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    The Role of Nanofluids in Renewable Energy Engineering

    Published 2023
    Subjects: “…density functional theory…”
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  18. 58
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    Cleaner Combustion by Chien, Yu-Chien

    Published 2019
    Subjects: “…density functional theory(DFT) calculations…”
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  19. 59
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    Coordination Chemistry of Silicon by Inoue, Shigeyoshi

    Published 2019
    Subjects: “…density functional theory…”
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  20. 60
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    Computational Methods for Polymers

    Published 2020
    Subjects: “…density functional theory…”
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