Search Results - "DFT"

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  1. 61
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    The Design, Synthesis, and Biological Evaluation of Compounds with Medicinal Value

    Published 2021
    Subjects: “…DFT…”
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  2. 62
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    Cyclodextrin Chemistry and Toxicology

    Published 2022
    Subjects: “…density functional theory (DFT)…”
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  3. 63
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    Advanced Nanomaterials for Electrochemical Energy Conversion and Storage

    Published 2022
    Subjects: “…DFT…”
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  4. 64
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    Metal-Based Radiopharmaceuticals in Inorganic Chemistry

    Published 2023
    Subjects: “…DFT…”
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  5. 65
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    Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds (Volume II)

    Published 2023
    Subjects: “…DFT calculations…”
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  6. 66
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    Synthesis, Application and Biological Evaluation of Chemical Organic Compounds

    Published 2023
    Subjects: “…DFT…”
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  7. 67
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    Modeling, Design and Optimization of Multiphase Systems in Minerals Processing by Cisternas, Luis A.

    Published 2020
    Subjects: “…DFT calculation…”
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  8. 68
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    Gulliver in the Country of Lilliput An Interplay of Noncovalent Interactions

    Published 2021
    Subjects: “…DFT…”
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  9. 69
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    Catalysis by Metals on Perovskite-Type Oxides

    Published 2021
    Subjects: “…DFT calculations…”
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  10. 70
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    Selected Papers from XVI MaNaPro and XI ECMNP

    Published 2021
    Subjects: “…DFT studies…”
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  11. 71
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    Data Hiding and Its Applications Digital Watermarking and Steganography

    Published 2022
    Subjects: “…DFT…”
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  12. 72
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    Steroid Compounds with Potential Biological Activity

    Published 2023
    Subjects: “…DFT…”
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  13. 73
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    σ- and π-Hole Interactions

    Published 2021
    Subjects: “…DFT study…”
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  14. 74
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    Supramolecular Gold Chemistry From Atomically Precise Thiolate-Protected Gold Nanoclusters to Gold-Thiolate Nanostructures

    Published 2020
    Subjects: “…DFT calculations…”
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  15. 75
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    Intramolecular Hydrogen Bonding 2021

    Published 2021
    Subjects: “…DFT…”
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  16. 76
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    Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins

    Published 2023
    Subjects: “…DFT…”
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  17. 77
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    Symmetry and Liquid Crystals

    Published 2023
    Subjects: “…DFT…”
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  18. 78
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    Cleaner Combustion by Chien, Yu-Chien

    Published 2019
    Subjects: “…density functional theory(DFT) calculations…”
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  19. 79
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    Coordination Chemistry of Silicon by Inoue, Shigeyoshi

    Published 2019
    Subjects: “…DFT…”
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  20. 80
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    Computational Methods for Polymers

    Published 2020
    Subjects: “…DFT…”
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