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Molecular Simulation, Vol. 38, Iss. 12, 2012-10 ,pp. : 987-1000

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Electronic structure simulations of 2,6-dimethyl-2,5-heptadien-4-one by FTIR, FT-Raman, NMR, UV–vis, NBO and density functional theory

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FT-IR, FT-Raman and UV-vis spectra and quantum chemical investigation of carvedilol

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