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function theory » functional theory (Expand Search)
theory decrease » teer decrease (Expand Search)
marked decrease » marked increase (Expand Search)
large decrease » larger decrease (Expand Search), large increases (Expand Search), large degree (Expand Search)
function theory » functional theory (Expand Search)
theory decrease » teer decrease (Expand Search)
marked decrease » marked increase (Expand Search)
large decrease » larger decrease (Expand Search), large increases (Expand Search), large degree (Expand Search)
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Values of <i>g</i>(<i>a</i><sub><i>i</i></sub>) satisfying Eq (2) for each action rule in <i>A</i>
Published 2025Subjects: -
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Modeling the Shape and Stability of Co Nanoparticles as a Function of Size and Support Interactions through DFT Calculations and Monte Carlo Simulations
Published 2025“…In this work, we have employed a combined density functional theory (DFT)-Monte Carlo (MC) approach to produce structural models of Co nanoparticles (NPs), widely employed in the Fischer–Tropsch (FT) synthesis for the production of sustainable aviation fuels (SAFs), in the 2–10 nm size range including the effects of temperature and metal–support interactions (MSI). …”
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