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How does the accuracy of Density Functional Theory (DFT) calculations affect the prediction of surface properties in catalysis reactions?
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How does the accuracy of ab initio calculations of molecular properties compare to experimentally determined data?
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How does the accumulation of heavy metals in water bodies due to industrial and agricultural activities affect the growth and reproduction of fish species in those ecosystems?
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How does the accumulation of cholesterol in the arterial walls lead to atherosclerosis and what molecular mechanisms are involved in the development of this disease?
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How does the accumulation of a certain product affect the reaction rate of a chemical reaction? Provide specific examples and experimental data to support your answer.
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What is the accepted method in quantum chemistry to predict the selectivity of a chemical reaction between multiple reactants?
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How does the absorption wavelength of a fluorescent dye affect its photochemical properties? Provide examples with empirical evidence.
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How does the absorption spectrum of chlorophyll relate to the wavelengths of light used during photosynthesis, and how does this impact the efficiency of carbon fixation in plants?
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How does the absorption spectrum of a photovoltaic material affect its efficiency to convert light to electricity?
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How does the absorption spectrum of a lanthanide complex change in response to exposure to different wavelengths of light, and what factors influence the efficiency of its photochemistry?
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How does the absorption spectra of naphthalene change upon rotation around the C-C bond in its excited state, and what insights can it provide into the electronic properties of the molecule?
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How does the absorption spectra of a molecule change with changes in its geometrical configuration? Use quantum chemical calculations to predict and explain the changes in the excited states of the molecule when its structure is altered.
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How does the absorption spectra of a dye or pigment change with changing pH?
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How does the absorption of light affect the rate of photochemical reactions in a closed system?
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How does the absorption of light energy by molecules lead to chemical reactions and photochemical transformations? And, what are the effects of different environmental factors such as temperature and pressure on photochemical reactions?
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Quantum Chemistry
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How does the absorption of light by organic compounds lead to the formation of excited states, and what are the subsequent steps involved in the photochemical reactions of these compounds?
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How does the absorption of light by molecules or materials affect their electronic structure and reactivity? Specifically, investigate the relationship between the photoexcitation of molecules and their subsequent chemical reaction pathways.
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Quantum Chemistry
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How does the absorption of light by molecules affect their electronic structure and reactivity in photocatalytic processes?
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Feb 17
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Quantum Chemistry
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How does the absorption of light by molecules impact their electronic structure and subsequent photochemical reactions in complex materials, such as those found in solar cells?
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Quantum Chemistry
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How does the absorption of light by molecules and materials affect their molecular structure and reactivity, and how can this knowledge be utilized in developing new materials for applications such as solar panels or sensors?
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Quantum Chemistry
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