Search Results - "First Principles"

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  1. Quantum Capacitance Investigation of Different TaS2 Polymorphs for Energy Storage Applications – First Principles Study by elAttar, Mahmoud

    Published 2022
    Subjects: “…First Principles…”
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    Thesis
  2. Accurate Evaluation of the Direction-Dependent Mechanical Properties of Ideal Single Crystals: A Comparative Ab Initio Study by ElHalawani, Jaylan Ali

    Published 2023
    Subjects: “…first principles computational tensile test…”
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  3. Development of a First-principle Model of a Semi-batch Rhodium Dissolution Process

    Published 2018
    Subjects: “…First-principle modelling…”
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    Thesis