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  1. 1
    Bioinspired Catechol- Based Systems: Chemistry and Applications
    by Daniel Ruiz-Molina (Ed.)
    Published 2018
    Subjects: “…DFT calculations…”
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  2. 2
    Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT
    by Stuyver, Thijs
    Published 2019
    Subjects: “…conceptual DFT, linear response function, nearsightedness of electronic matter, alchemical…”
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  3. 3
    Challenges in Computational Enzymology
    Published 2019
    Subjects: “…DFT…”
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  4. 4
    Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors
    by Sebbar, Nadia
    Published 2006
    Subjects: “…DFT…”
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  5. 5
    Advances and Challenges in Organic Electronics
    Published 2021
    Subjects: “…DFT…”
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  6. 6
    Chiral Auxiliaries and Chirogenesis II
    Published 2021
    Subjects: “…DFT…”
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  7. 7
    Organophosphorus Chemistry 2018
    by Keglevich, György
    Published 2020
    Subjects: “…DFT…”
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  8. 8
    Pharmaceutical Crystals
    by Uekusa, Hidehiro
    Published 2020
    Subjects: “…DFT…”
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  9. 9
    The Application of Quantum Mechanics in Reactivity of Molecules
    Published 2021
    Subjects: “…DFT calculations…”
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  10. 10
    Non-covalent Interactions in Coordination and Organometallic Chemistry
    Published 2022
    Subjects: “…TD-DFT…”
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  11. 11
    Novel Photoactive Materials
    by Diamanti, Maria Vittoria
    Published 2019
    Subjects: “…density functional theory (DFT)…”
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  12. 12
    Advanced Mathematical Methods: Theory and Applications
    by Giusti, Andrea
    Published 2020
    Subjects: “…DFT in polar coordinates…”
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  13. 13
    Carbon Ligands : From Fundamental Aspects to Applications
    Published 2021
    Subjects: “…DFT calculations…”
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  14. 14
    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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  15. 15
    Synthesis of Flavonoids or Other Nature-Inspired Small Molecules
    Published 2022
    Subjects: “…DFT calculation…”
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  16. 16
    Molecular Electronics
    Published 2021
    Subjects: “…DFT + Σ…”
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  17. 17
    First-Principles Prediction of Structures and Properties in Crystals
    by Kurzydlowski, Dominik
    Published 2019
    Subjects: “…DFT…”
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  18. 18
    Fundamentals and Recent Advances in Epitaxial Graphene on SiC
    Published 2021
    Subjects: “…DFT…”
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  19. 19
    Modularity and Twinning in Mineral Crystal Structures
    Published 2021
    Subjects: “…DFT…”
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  20. 20
    Micro/Nano Materials for Clean Energy and Environment
    by Tan, Zhongchao
    Published 2019
    Subjects: “…DFT…”
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