Recent questions in Computational Chemistry

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How does the size and shape of a gold nanoparticle influence its stability and reactivity in a molecular dynamics simulation?

asked Feb 25 in Computational Chemistry by TheScientist (138k points)

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How does the size and shape of a nanoparticle affect its behavior in a molecular dynamics simulation? Specifically, how does the radius and aspect ratio of a gold nanoparticle impact its surface area and surface energy?

asked Feb 25 in Computational Chemistry by TheScientist (138k points)

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How does the size and shape of a nanoparticle affect its behavior in a specific solvent in a molecular dynamics simulation?

asked Feb 25 in Computational Chemistry by TheScientist (138k points)

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How does the size and shape of a nanoparticle affect its stability and reactivity in a given environment, as determined through molecular dynamics simulations?

asked Feb 25 in Computational Chemistry by TheScientist (138k points)

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How does the size and shape of a nanoparticle affect its diffusion behavior in a liquid environment, and how can this be altered or controlled through manipulation of the nanoparticle structure using molecular dynamics simulations?

asked Feb 25 in Computational Chemistry by TheScientist (138k points)

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How does the size and shape of a nanoparticle affect its behavior and properties, as analyzed through molecular dynamics simulations?

asked Feb 25 in Computational Chemistry by TheScientist (138k points)

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How does the size and shape of nanoparticles affect the phase transition behavior of a substance, and how can Monte Carlo simulations be used to predict and understand these effects?

asked Feb 24 in Computational Chemistry by AnibalX1615 (2.1k points)

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How does the size and shape of metal ions affect the stability and selectivity of metal-organic frameworks?

asked Feb 24 in Computational Chemistry by AnnPruett84 (2.3k points)

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How does the size and shape of metal ions affect the structure and stability of metal-organic frameworks?

asked Feb 24 in Computational Chemistry by Eusebia94K98 (2.2k points)

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How does the size and shape of host molecules affect their ability to bind with guest molecules in supramolecular systems, and how can computational methods be used to study and predict these interactions?

asked Feb 24 in Computational Chemistry by WilburnMcCor (1.8k points)

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How does the size and shape of a gold nanoparticle affect its stability under different environmental conditions, and how can molecular dynamics simulations be used to study these interactions?

asked Feb 24 in Computational Chemistry by NadineKzd354 (2.0k points)

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How does the size and shape of a gold nanoparticle influence its stability and reactivity in a molecular dynamics simulation?

asked Feb 24 in Computational Chemistry by RamiroShockl (2.3k points)

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How does the size and shape of a nanoparticle affect its behavior in a molecular dynamics simulation? Specifically, how does the radius and aspect ratio of a gold nanoparticle impact its surface area and surface energy?

asked Feb 24 in Computational Chemistry by ReinaldoBull (2.2k points)

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How does the size and shape of a nanoparticle affect its behavior in a specific solvent in a molecular dynamics simulation?

asked Feb 24 in Computational Chemistry by ElissaSegura (1.6k points)

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How does the size and shape of a nanoparticle affect its stability and reactivity in a given environment, as determined through molecular dynamics simulations?

asked Feb 24 in Computational Chemistry by MirtaBly0080 (2.0k points)

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How does the size and shape of a nanoparticle affect its diffusion behavior in a liquid environment, and how can this be altered or controlled through manipulation of the nanoparticle structure using molecular dynamics simulations?

asked Feb 24 in Computational Chemistry by CamillePiazz (1.8k points)

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How does the size and shape of a nanoparticle affect its behavior and properties, as analyzed through molecular dynamics simulations?

asked Feb 24 in Computational Chemistry by 81972453255 (2.0k points)

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How does the size and shape of a molecule affect its ability to form supramolecular structures, and how can computational methods be used to predict and study these structures?

asked Feb 24 in Computational Chemistry by AstridMusser (1.9k points)

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How does the size and shape of a metallic nanoparticle affect its surface properties, such as reactivity with molecules, when analyzed using density functional theory calculations?

asked Feb 24 in Computational Chemistry by MarcellaR325 (2.2k points)

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How does the size and shape of a gold nanoparticle affect its stability and reactivity in a molecular dynamics simulation?

asked Feb 24 in Computational Chemistry by DarbyJackey7 (1.4k points)

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