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- W2149331497 abstract "Abstract The spectroscopic proprieties of two energetically close conformers of acetylacetone have been investigated using density functional methods. The calculated anharmonic frequencies are in very satisfactory agreement with experimental data. The low height of the conversion barrier explains why the signature of both conformers can be found in the vibrational spectrum. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006" @default.
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- W2149331497 date "2005-12-12" @default.
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- W2149331497 title "Anharmonic vibrational spectra of acetylacetone" @default.
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- W2149331497 doi "https://doi.org/10.1002/qua.20894" @default.
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