Search Results - "DFT calculations"

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  1. 1
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    Bioinspired Catechol- Based Systems: Chemistry and Applications by Daniel Ruiz-Molina (Ed.)

    Published 2018
    Subjects: “…DFT calculations…”
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  2. 2
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    Density Functional Calculations Recent Progresses of Theory and Application

    Published 2018
    Subjects: “…density functional theory, conceptual dft, dft calculations, nanoparticles, spectroscopy, molecular modeling…”
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  3. 3
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    Multicomponent Pharmaceutical Solids

    Published 2023
    Subjects: “…DFT calculations…”
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  4. 4
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    Chemical Bond and Intermolecular Interactions

    Published 2023
    Subjects: “…DFT calculations…”
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  5. 5
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    Organophosphorus Chemistry 2018 by Keglevich, György

    Published 2020
    Subjects: “…DFT calculations…”
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  6. 6
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    The Application of Quantum Mechanics in Reactivity of Molecules

    Published 2021
    Subjects: “…DFT calculations…”
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  7. 7
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    Calixarene Complexes: Synthesis, Properties and Applications

    Published 2021
    Subjects: “…DFT calculations…”
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  8. 8
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    Electrocatalysts for Oxygen/Hydrogen-Involved Reactions

    Published 2022
    Subjects: “…DFT calculations…”
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  9. 9
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    Novel Photoactive Materials by Diamanti, Maria Vittoria

    Published 2019
    Subjects: “…DFT calculations…”
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  10. 10
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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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  11. 11
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    Catalysis by Metals on Perovskite-Type Oxides

    Published 2021
    Subjects: “…DFT calculations…”
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  12. 12
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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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  13. 13
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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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  14. 14
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    Synthesis of Flavonoids or Other Nature-Inspired Small Molecules

    Published 2022
    Subjects: “…DFT calculation…”
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  15. 15
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    Cleaner Combustion by Chien, Yu-Chien

    Published 2019
    Subjects: “…density functional theory(DFT) calculations…”
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  16. 16
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    Carbon Ligands From Fundamental Aspects to Applications

    Published 2021
    Subjects: “…DFT calculations…”
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  17. 17
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    Simulation and Modeling of Nanomaterials

    Published 2022
    Subjects: “…DFT calculations…”
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  18. 18
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    From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

    Published 2022
    Subjects: “…DFT calculations…”
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  19. 19
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    Supramolecular Chemistry in the 3rd Millennium

    Published 2021
    Subjects: “…DFT calculations…”
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  20. 20
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    Nitrogen-Containing Molecules: Natural and Synthetic Products Including Coordination Compounds

    Published 2021
    Subjects: “…DFT calculations…”
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