Search Results - "calculation"

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  1. 161
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    σ- and π-Hole Interactions

    Published 2021
    Subjects: “…PBE0-D3(BJ) calculations…”
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  2. 162
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    Supramolecular Gold Chemistry From Atomically Precise Thiolate-Protected Gold Nanoclusters to Gold-Thiolate Nanostructures

    Published 2020
    Subjects: “…DFT calculations…”
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  3. 163
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    Intramolecular Hydrogen Bonding 2021

    Published 2021
    Subjects: “…calculated infrared spectra…”
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  4. 164
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    Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins

    Published 2023
    Subjects: “…MM-GBSA calculations…”
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  5. 165
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    Multi-Objective and Multi-Attribute Optimisation for Sustainable Development Decision Aiding by Antuchevi?ien?, Jurgita

    Published 2019
    Subjects: “…cost calculation…”
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  6. 166
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    Atomic Structure of the Heaviest Elements

    Published 2023
    Subjects: “…Jena Atomic Calculator…”
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  7. 167
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    The Role of Nanofluids in Renewable Energy Engineering

    Published 2023
    Subjects: “…first-principle calculations…”
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  8. 168
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    The Nuclear Shell Model 70 Years after Its Advent: Achievements and Prospects

    Published 2023
    Subjects: “…nuclear shell model calculations…”
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  9. 169
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    Cleaner Combustion by Chien, Yu-Chien

    Published 2019
    Subjects: “…density functional theory(DFT) calculations…”
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  10. 170
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    Carbon Ligands From Fundamental Aspects to Applications

    Published 2021
    Subjects: “…DFT calculations…”
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  11. 171
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    Simulation and Modeling of Nanomaterials

    Published 2022
    Subjects: “…DFT calculations…”
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  12. 172
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    From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

    Published 2022
    Subjects: “…DFT calculations…”
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  13. 173
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    Optimization and Flow Characteristics in Advanced Fluid Machinery

    Published 2023
    Subjects: “…numerical calculation…”
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  14. 174
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    Control and Nonlinear Dynamics on Energy Conversion Systems by Iu, Herbert Ho-Ching

    Published 2019
    Subjects: “…calculation method…”
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  15. 175
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    Design and Development of Nanostructured Thin Films by Cavaliere, Sara

    Published 2020
    Subjects: “…first-principles calculation…”
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  16. 176
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    Supramolecular Chemistry in the 3rd Millennium

    Published 2021
    Subjects: “…DFT calculations…”
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  17. 177
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    Nitrogen-Containing Molecules: Natural and Synthetic Products Including Coordination Compounds

    Published 2021
    Subjects: “…DFT calculations…”
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  18. 178
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    Electron Scattering in Gases - from Cross Sections to Plasma Modeling

    Published 2022
    Subjects: “…cross-section calculations…”
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  19. 179
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    Design and Application of Agricultural Equipment in Tillage System

    Published 2023
    Subjects: “…durability calculation method…”
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  20. 180
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    Vehicle and Traffic Safety

    Published 2022
    Subjects: “…empirical calculation…”
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