Search Results - "density functionals"

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  1. 41
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    Surface Engineering & Coating Technologies for Corrosion and Tribocorrosion Resistance

    Published 2023
    Subjects: “…density functional theory (DFT)…”
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  2. 42
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    Chemical Bond and Intermolecular Interactions

    Published 2023
    Subjects: “…density functional theory…”
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  3. 43
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    Statistical Mechanics and Thermodynamics of Liquids and Crystals

    Published 2021
    Subjects: “…one- and two-body density functions…”
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  4. 44
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    Mathematical Modeling of Biological Systems Geometry, Symmetry and Conservation Laws

    Published 2022
    Subjects: “…bivariate probability density function…”
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  5. 45
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    Zeolites as Catalysts: Applications in Chemical Engineering, Energy Sources and Environmental Protection

    Published 2023
    Subjects: “…density functional theory (DFT)…”
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  6. 46
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    Removal of Organic Pollution in Water Environment by Kotowska, Urszula

    Published 2019
    Subjects: “…density functional theory…”
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  7. 47
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    The Application of Quantum Mechanics in Reactivity of Molecules

    Published 2021
    Subjects: “…porphyrins, density functional theory…”
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  8. 48
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    Recent Advances in Iron Catalysis

    Published 2020
    Subjects: “…density functional theory…”
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  9. 49
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    Calixarene Complexes: Synthesis, Properties and Applications

    Published 2021
    Subjects: “…density functional theory…”
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  10. 50
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    Properties of Transition Metals and Their Compounds at Extreme Conditions

    Published 2021
    Subjects: “…density-functional theory…”
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  11. 51
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    Electrocatalysts for Oxygen/Hydrogen-Involved Reactions

    Published 2022
    Subjects: “…density functional theory…”
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  12. 52
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    Amide Bond Activation by Szostak, Michal

    Published 2019
    Subjects: “…density functional theory…”
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  13. 53
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    Novel Photoactive Materials by Diamanti, Maria Vittoria

    Published 2019
    Subjects: “…density functional theory (DFT)…”
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  14. 54
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    Cyclodextrin Chemistry and Toxicology

    Published 2022
    Subjects: “…density functional theory (DFT)…”
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  15. 55
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    Measurement Uncertainty

    Published 2023
    Subjects: “…probability density functions…”
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  16. 56
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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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  17. 57
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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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  18. 58
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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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  19. 59
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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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  20. 60
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    Mathematical Finance with Applications

    Published 2020
    Subjects: “…density functions…”
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