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- W2092588442 abstract "Although a lot of work has been done on the vibrational analysis of urea, there still remain some contradictions and uncertainties, mainly due to interpretation of the vibrational spectrum of crystalline urea based on force field calculations on isolated urea instead of on urea in its crystal phase. We have shown that this approach is not allowed in the case of urea. The vibrational spectrum of urea was interpreted by measuring the solid state infrared spectra of eight isotopomers of urea at room temperature and at −196 °C, and Raman spectra at room temperature and at −120 °C, and of a urea−water solution. Force field calculations from our recently published article on isolated urea and on urea in its crystal structure, at the Hartree−Fock level with a 6-31++G** basis set, were also used. We have also shown that high-pressure measurements using a “diamond anvil cell” are not useful by performing a vibrational analysis." @default.
- W2092588442 created "2016-06-24" @default.
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- W2092588442 creator A5051880703 @default.
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- W2092588442 date "1999-05-29" @default.
- W2092588442 modified "2023-10-18" @default.
- W2092588442 title "Vibrational Analysis of Urea" @default.
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- W2092588442 doi "https://doi.org/10.1021/jp984180z" @default.
- W2092588442 hasPublicationYear "1999" @default.
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