Search Results - "Calculators"

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  1. 121
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    Gulliver in the Country of Lilliput An Interplay of Noncovalent Interactions

    Published 2021
    Subjects: “…first-principle calculation…”
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  2. 122
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    Complex Concentrated Alloys (CCAs) Current Understanding and Future Opportunities

    Published 2020
    Subjects: “…first-principles calculations…”
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  3. 123
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    Catalysis by Metals on Perovskite-Type Oxides

    Published 2021
    Subjects: “…DFT calculations…”
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  4. 124
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    In Silico Strategies for Prospective Drug Repositionings

    Published 2022
    Subjects: “…MM-GBSA calculation…”
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  5. 125
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    In Silico Strategies for Prospective Drug Repositionings

    Published 2023
    Subjects: “…MM-GBSA calculation…”
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  6. 126
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    Mechanical Research of Reinforced Concrete Materials

    Published 2023
    Subjects: “…coupling numerical calculation…”
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  7. 127
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    σ- and π-Hole Interactions

    Published 2021
    Subjects: “…PBE0-D3(BJ) calculations…”
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  8. 128
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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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  9. 129
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    Mathematical Modelling of Energy Systems and Fluid Machinery

    Published 2021
    Subjects: “…numerical calculation…”
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  10. 130
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    Intramolecular Hydrogen Bonding 2021

    Published 2021
    Subjects: “…calculated infrared spectra…”
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  11. 131
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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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  12. 132
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    Atomic Structure of the Heaviest Elements

    Published 2023
    Subjects: “…Jena Atomic Calculator…”
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  13. 133
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    Atmospheric Boundary Layer Processes, Characteristics and Parameterization

    Published 2023
    Subjects: “…numerical calculation time…”
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  14. 134
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    The Role of Nanofluids in Renewable Energy Engineering

    Published 2023
    Subjects: “…first-principle calculations…”
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  15. 135
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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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  16. 136
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    Cleaner Combustion by Chien, Yu-Chien

    Published 2019
    Subjects: “…density functional theory(DFT) calculations…”
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  17. 137
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    Carbon Ligands From Fundamental Aspects to Applications

    Published 2021
    Subjects: “…DFT calculations…”
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  18. 138
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    Simulation and Modeling of Nanomaterials

    Published 2022
    Subjects: “…DFT calculations…”
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  19. 139
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    From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

    Published 2022
    Subjects: “…DFT calculations…”
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  20. 140
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    Advances in Fluid Power Systems

    Published 2022
    Subjects: “…CFD calculation…”
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