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Showing 1 - 20 results of 32 for search '"density-functional theory"', 查询时间: 0.05s Refine Results
  1. 1
    The Role of Non-Stoichiometry in the Functional Properties of Oxide Materials
    出版 2019
    主题: “...Density Functional Theory...”
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  2. 2
    First-Principles Approaches to Metals, Alloys, and Metallic Compounds
    由 Richard Dronskowski (Ed.)
    出版 2018
    主题: “...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
    由 Sam P. de Visser
    出版 2018
    主题: “...Density Functional Theory...”
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  4. 4
    Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
    由 Kühn, Michael
    出版 2015
    主题: “...Time-dependent density functional theory...”
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  5. 5
    Electrocatalysis in Fuel Cells
    由 Minhua Shao (Ed.)
    出版 2016
    主题: “...density functional theory...”
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  6. 6
    Computational Quantum Physics and Chemistry of Nanomaterials
    出版 2021
    主题: “...density-functional theory...”
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  7. 7
    New Concepts in Oxidation Processes
    由 Genty, Eric
    出版 2020
    主题: “...density functional theory calculation...”
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  8. 8
    Carbon Ligands : From Fundamental Aspects to Applications
    出版 2021
    主题: “...density functional theory...”
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  9. 9
    Photocatalytic Hydrogen Evolution
    出版 2020
    主题: “...density-functional theory...”
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  10. 10
    Molecular Electronics
    出版 2021
    主题: “...density functional theory...”
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  11. 11
    First-Principles Prediction of Structures and Properties in Crystals
    由 Kurzydlowski, Dominik
    出版 2019
    主题: “...density functional theory...”
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  12. 12
    Recent Advances in Iron Catalysis
    出版 2020
    主题: “...density functional theory...”
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  13. 13
    Properties of Transition Metals and Their Compounds at Extreme Conditions
    出版 2021
    主题: “...density-functional theory...”
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  14. 14
    The Application of Quantum Mechanics in Reactivity of Molecules
    出版 2021
    主题: “...porphyrins, density functional theory...”
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  15. 15
    Removal of Organic Pollution in Water Environment
    由 Kotowska, Urszula
    出版 2019
    主题: “...density functional theory...”
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  16. 16
    Calixarene Complexes: Synthesis, Properties and Applications
    出版 2021
    主题: “...density functional theory...”
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  17. 17
    Amide Bond Activation
    由 Szostak, Michal
    出版 2019
    主题: “...density functional theory...”
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  18. 18
    Novel Photoactive Materials
    由 Diamanti, Maria Vittoria
    出版 2019
    主题: “...density functional theory (DFT)...”
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  19. 19
    2D Materials and Van der Waals Heterostructures : Physics and Applications
    出版 2020
    主题: “...density functional theory...”
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  20. 20
    Modeling, Design and Optimization of Multiphase Systems in Minerals Processing
    由 Cisternas, Luis A.
    出版 2020
    主题: “...density functional theory...”
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