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How does the size and shape of a nanoscale system affect the quantum transport properties of molecules within the system, and what are the implications of these properties on the functionality and efficiency of molecular electronic devices?
asked
Feb 25
in
Quantum Chemistry
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votes
1
answer
34
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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
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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?
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Feb 25
in
Computational Chemistry
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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?
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Feb 25
in
Computational Chemistry
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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
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1
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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
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1
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32
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How does the size and shape of a nanomaterial affect its electronic and optical properties, and how can we calculate these properties using quantum chemistry methods?
asked
Feb 25
in
Quantum Chemistry
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30
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How does the size and shape of a nanomaterial affect its electronic and optical properties, and what is the mechanism behind these changes?
asked
Feb 25
in
Quantum Chemistry
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How does the size and shape of a nanomaterial affect its electronic and optical properties, and how can quantum chemistry calculations be used to predict and understand these properties?
asked
Feb 25
in
Quantum Chemistry
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