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What is the relationship between the electronic transport properties of a material and the accuracy of the density functional theory (DFT) calculations used to predict them?

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

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How does the size and shape of a catalyst affect its activity and selectivity in a chemical reaction?

asked Feb 24 in Quantum Chemistry by AlfredLamb10 (2.1k points)

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What is the relationship between the electronic properties and the optical properties of conjugated polymers, and how can they be calculated through quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by ElsieBidmead (2.1k points)

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How does the size and shape of nanoparticles affect their photochemical properties? Use specific examples and scientific evidence to support your answer.

asked Feb 24 in PhotoChemistry by ZellaSeamon3 (1.6k points)

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What is the relationship between the electronic and magnetic properties of transition metal complexes, and how can they be accurately predicted using quantum chemistry methods?

asked Feb 24 in Quantum Chemistry by MarkusPaquet (1.7k points)

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How does the size and composition of microplastics affect their toxicity to marine life in different aquatic environments?

asked Feb 24 in Environmental Chemistry by KreogMoore5 (6.4k points)

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How does the regulation of fatty acid synthesis and degradation contribute to the control of lipid metabolism and transport in the human body? Include the most important enzymes, hormones and pathways involved in this process.

asked Feb 24 in BioChemistry by CharmainHers (1.6k points)

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What conditions are necessary for the selective oxidation of methane on a metal surface to produce formaldehyde, and how does the presence of different metals affect the selectivity and activity of the reaction?

asked Feb 24 in Surface Chemistry by AveryJoris20 (2.0k points)

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What is the relationship between the electronic structure and magnetic properties of transition metal complexes, and how can this knowledge be used to predict and design new materials with desired magnetic properties?

asked Feb 24 in Quantum Chemistry by CaitlynTulab (1.2k points)

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How does the size and shape of metallofullerenes and metalloclusters affect their coordination chemistry and reactivity?

asked Feb 24 in Coordination Chemistry by ChauFrederic (1.2k points)

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How does the size and orientation of the organic cation affect the electronic and optical properties of perovskite materials?

asked Feb 24 in Quantum Chemistry by CalvinHornin (1.6k 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 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 selectivity of hydrocarbon oxidation on metal surfaces change with respect to changes in temperature and gas composition?

asked Feb 24 in Surface Chemistry by OliviaMilton (2.0k points)

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What is the role of metal ions in determining the photochemical properties of coordination compounds, and how do different ligands affect the photochemistry of these compounds? Provide specific examples to support your answer.

asked Feb 24 in PhotoChemistry by SZVRamon1645 (2.4k points)

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How does the size and shape of nanoparticles affect their photochemical properties? Investigate the photochemical properties of nanoparticles with varying sizes and shapes, and determine how these properties relate to the particle's structural features.

asked Feb 24 in PhotoChemistry by AdolphI79338 (1.8k 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 refractive index of a glass material affect its optical properties and how can it be optimized for use in specific optical applications, such as lenses or prisms?

asked Feb 24 in Materials Chemistry by Tesha44V4191 (1.7k points)

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How does the Si/Al ratio affect the sorption properties of zeolites? Use computational chemistry methods to compare the sorption capacity of zeolites with different Si/Al ratios for a specific adsorbate.

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

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What is the relationship between temperature and the rate of a photochemical reaction and how does the activation energy of the reaction change with a change in temperature?

asked Feb 24 in PhotoChemistry by BenjaminWenz (2.0k points)

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