Search Results - "DFT"

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  1. 81
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    Bioactive Molecules from Extreme Environments II

    Published 2021
    Subjects: “…(DFT)-UV-Vis spectral calculation…”
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  2. 82
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    Advances in Chemical Crystallography: A Themed Issue Honoring Professor Alexandra M. Z. Slawin on the Occasion of Her 60th Birthday

    Published 2022
    Subjects: “…DFT…”
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  3. 83
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    From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

    Published 2022
    Subjects: “…DFT calculations…”
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  4. 84
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    Cornerstones in Contemporary Inorganic Chemistry

    Published 2022
    Subjects: “…time-dependent DFT…”
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  5. 85
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    Porphyrin-Based Compounds: Synthesis and Application

    Published 2023
    Subjects: “…DFT…”
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  6. 86
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    Machine Learning Methods with Noisy, Incomplete or Small Datasets

    Published 2021
    Subjects: “…Discrete Fourier Transform (DFT)…”
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  7. 87
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    Supramolecular Chemistry in the 3rd Millennium

    Published 2021
    Subjects: “…DFT calculations…”
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  8. 88
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    Nitrogen-Containing Molecules: Natural and Synthetic Products Including Coordination Compounds

    Published 2021
    Subjects: “…DFT calculations…”
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  9. 89
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    Potential Anti-SARS-CoV-2 Molecular Strategies

    Published 2023
    Subjects: “…DFT…”
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  10. 90
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    Pressure-Induced Phase Transformations (Volume II)

    Published 2023
    Subjects: “…high-pressure DFT…”
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  11. 91
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    Iron and Cobalt Catalysts

    Published 2020
    Subjects: “…DFT…”
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  12. 92
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    Advances in Molecular Simulation

    Published 2021
    Subjects: “…DFT…”
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  13. 93
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    A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary

    Published 2022
    Subjects: “…DFT…”
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  14. 94
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    Synthetic Peptides and Peptidomimetics: From Basic Science to Biomedical Applications

    Published 2022
    Subjects: “…density functional theory (DFT)…”
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  15. 95
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    Advanced Materials in Catalysis and Adsorption

    Published 2023
    Subjects: “…DFT calculations…”
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  16. 96
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    Biomimetic Radical Chemistry and Applications by Chatgilialoglu, Chryssostomos

    Published 2020
    Subjects: “…TD-DFT methods…”
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  17. 97
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    Synthesis and Applications of New Spin Crossover Compounds by Kitazawa, Takafumi

    Published 2019
    Subjects: “…DFT calculation…”
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  18. 98
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    Fast Non-destructive Detection Technology and Equipment for Food Quality and Safety

    Published 2023
    Subjects: “…DFT…”
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  19. 99
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    Amide Bond Activation by Szostak, Michal

    Published 2019
    Subjects: “…DFT study…”
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  20. 100
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    Virus Bioinformatics by Robertson, David

    Published 2020
    Subjects: “…DFT…”
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