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What are the factors that affect the thermal conductivity of ceramics and how can they be optimized for use in high-temperature applications such as gas turbine engines?

asked Feb 28 in Materials Chemistry by TheScientist (138k points)

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How does the interaction between an existing anti-inflammatory drug and its target protein contribute to the therapeutic effect of the drug?

asked Feb 28 in Medicinal Chemistry by TheScientist (138k points)

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What is the theoretical value of the magnetic susceptibility of a given organic molecule under certain conditions, and what factors contribute to this value?

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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What is the theoretical calculation of the absorption spectrum of a molecule, and what are the specific electronic transitions responsible for each peak in the spectrum?

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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What is the theoretical basis for the electronic and optical properties of graphene and other 2D materials, and how can quantum chemical calculations be used to predict and understand these properties?

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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What is the theoretical basis for predicting the chemical reactivity and selectivity of a given molecule using quantum chemical calculations?

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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How does the temperature affect the structure and behavior of a lipid bilayer membrane in molecular dynamics simulations?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature affect the orientational order of liquid crystals as predicted by Monte Carlo simulations?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature affect the energy transfer processes and molecular dynamics in a gas-phase reaction between methane and oxygen using quantum chemistry calculations?

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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How does the temperature affect the adsorption of gas molecules on activated charcoal?

asked Feb 28 in Surface Chemistry by TheScientist (138k points)

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How does the temperature affect the adsorption of gas molecules on a solid surface?

asked Feb 28 in Surface Chemistry by TheScientist (138k points)

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How does the temperature affect the self-organization and structure of phospholipid bilayers in molecular dynamics simulations?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature affect the phase transition behavior of a liquid crystal using Monte Carlo simulations?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature affect the nematic ordering of a liquid crystal sample simulated through Monte Carlo simulations?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature affect the order parameter and phase transition of the nematic phase of a liquid crystal system using Monte Carlo simulations?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature affect the conformational behavior of a polymer chain in a Monte Carlo simulation?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature of the system affect the outcomes of Monte Carlo simulations of gas-phase reactions?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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How does the temperature of a system affect the energy transfer processes and molecular dynamics of a gas-phase reaction?

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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How does the temperature of a solvent affect the rate of energy transfer in a chemical reaction? Use quantum chemistry methods to model molecular dynamics and analyze the energy transfer processes.

asked Feb 28 in Quantum Chemistry by TheScientist (138k points)

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How does the temperature affect the reaction rate and profitability of the reaction between hydrochloric acid and magnesium ribbon?

asked Feb 28 in Chemical kinetics by TheScientist (138k points)

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