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Calculate the HOMO-LUMO gap of a conjugated polymer consisting of 50 monomers, assuming that the polymer is periodic in the z-direction, using a density functional theory (DFT) program of your choice. Also, determine the absorption spectrum of the polymer in the UV-vis region, and predict its color in solution.
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Jan 23
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Quantum Chemistry
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What is Shepard and Metzler's study on mental rotation?
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Jan 20
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Psychology
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