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How can we predict the catalytic activity and selectivity of a given catalyst using quantum chemistry calculations?
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Feb 14
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Quantum Chemistry
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What are the photochemical properties of quantum dots and how do they play a role in their potential applications in optoelectronic devices?
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What is the mechanism of photo bleaching of a common textile dye?
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What is the probability of finding a particle in a particular energy state in a Canonical Ensemble at a given temperature?
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How does inadequate training for chemistry teachers affect students' ability to understand chemistry and perform well in the subject?
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How can we predict the binding affinity of two proteins in a protein-protein interaction through molecular docking simulations using different software tools?
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Computational Chemistry
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What is the mechanism of action of nitrogen dioxide on the respiratory system, and what are the specific health effects of prolonged exposure to this air pollutant?
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Environmental Chemistry
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What is the role of metal ions in the function of hemoglobin, and how does their coordination structure facilitate the binding and release of oxygen in the protein?
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Coordination Chemistry
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How can we optimize the production of detergents through the selection of appropriate raw materials and process variables to achieve desired product characteristics, such as surfactant activity and pH levels?
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Chemical engineering
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How does the enzyme ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO) in plants discriminate between carbon dioxide and oxygen during photosynthesis?
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How can we predict the 3D structure of a molecule and its properties, such as reactivity and stability, using computational chemistry tools and molecular modeling techniques?
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What are the differences in physical and chemical properties between methanol and ethanol, and how do those differences impact their uses as solvents, fuels and pharmaceuticals?
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Organic Chemistry
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What is the net ATP yield in glycolysis and gluconeogenesis per molecule of glucose and what are the key enzymes involved in each pathway? How does the regulation of these enzymes differ in glycolysis and gluconeogenesis?
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BioChemistry
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How does quantum coherence and entanglement affect the properties and behavior of molecular and nanoscale systems in chemical reactions?
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Quantum Chemistry
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How can we predict the crystal structures of inorganic solids using different computational methods and experimental techniques?
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Inorganic Chemistry
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How can we improve the efficiency and selectivity of polymer-based membranes for water treatment applications, while maintaining their durability in harsh environments?
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What is the electronic structure of methane (CH4) and what are the molecular orbitals involved in its formation, as determined by quantum mechanical calculations?
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Quantum Chemistry
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What hybrid orbitals are present in the central atom of a molecule of carbon dioxide (CO2)?
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Chemical bonding
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How can we optimize the process parameters of the production of a specific pharmaceutical drug to achieve the highest yield and purity while minimizing cost and waste?
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How can we safely dispose of radioactive waste to minimize its impact on the environment and prevent contamination of surrounding regions?
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