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