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  1. 1
    The Role of Non-Stoichiometry in the Functional Properties of Oxide Materials
    Published 2019
    Subjects: “…Density Functional Theory…”
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  2. 2
    First-Principles Approaches to Metals, Alloys, and Metallic Compounds
    by Richard Dronskowski (Ed.)
    Published 2018
    Subjects: “…density-functional theory…”
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  3. 3
    Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications
    by Sam P. de Visser
    Published 2018
    Subjects: “…Density Functional Theory…”
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  4. 4
    Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
    by Kühn, Michael
    Published 2015
    Subjects: “…Time-dependent density functional theory…”
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  5. 5
    Electrocatalysis in Fuel Cells
    by Minhua Shao (Ed.)
    Published 2016
    Subjects: “…density functional theory…”
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  6. 6
    Computational Quantum Physics and Chemistry of Nanomaterials
    Published 2021
    Subjects: “…density-functional theory…”
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  7. 7
    New Concepts in Oxidation Processes
    by Genty, Eric
    Published 2020
    Subjects: “…density functional theory calculation…”
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  8. 8
    Carbon Ligands : From Fundamental Aspects to Applications
    Published 2021
    Subjects: “…density functional theory…”
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  9. 9
    Photocatalytic Hydrogen Evolution
    Published 2020
    Subjects: “…density-functional theory…”
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  10. 10
    Molecular Electronics
    Published 2021
    Subjects: “…density functional theory…”
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  11. 11
    First-Principles Prediction of Structures and Properties in Crystals
    by Kurzydlowski, Dominik
    Published 2019
    Subjects: “…density functional theory…”
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  12. 12
    Recent Advances in Iron Catalysis
    Published 2020
    Subjects: “…density functional theory…”
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  13. 13
    Properties of Transition Metals and Their Compounds at Extreme Conditions
    Published 2021
    Subjects: “…density-functional theory…”
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  14. 14
    The Application of Quantum Mechanics in Reactivity of Molecules
    Published 2021
    Subjects: “…porphyrins, density functional theory…”
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  15. 15
    Removal of Organic Pollution in Water Environment
    by Kotowska, Urszula
    Published 2019
    Subjects: “…density functional theory…”
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  16. 16
    Calixarene Complexes: Synthesis, Properties and Applications
    Published 2021
    Subjects: “…density functional theory…”
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  17. 17
    Amide Bond Activation
    by Szostak, Michal
    Published 2019
    Subjects: “…density functional theory…”
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  18. 18
    Novel Photoactive Materials
    by Diamanti, Maria Vittoria
    Published 2019
    Subjects: “…density functional theory (DFT)…”
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  19. 19
    2D Materials and Van der Waals Heterostructures : Physics and Applications
    Published 2020
    Subjects: “…density functional theory…”
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  20. 20
    Modeling, Design and Optimization of Multiphase Systems in Minerals Processing
    by Cisternas, Luis A.
    Published 2020
    Subjects: “…density functional theory…”
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