Palafox, M. A. published the artcileThe hydration effect on the uracil frequencies: an experimental and quantum chemical study, Category: pyrimidines, the publication is Journal of Molecular Structure: THEOCHEM (2002), 69-92, database is CAplus.
This work describes the performance of different quantum chem. theor. methods in calculating the vibrational frequencies of uracil and some derivatives, and the effect of hydration on the uracil frequencies. The Raman spectra of polycrystalline uracil with different water contents are discussed. To correct the deficiency of the theor. quantum chem. methods, several procedures are described. Two of them are new. For these new procedures, scaling factors and scaling equations were determined at different levels. With them, a significant reduction in the error of the predicted frequencies was obtained over the 1-factor scaling standard procedure. A comparison of the cost/effective method and procedure of scaling was carried out on uracil mol. Scale factors transferred from uracil to related mols. provided an a priori prediction of fundamental frequencies and intensities, permitting several corrections to be proposed for earlier assignments.
Journal of Molecular Structure: THEOCHEM published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Category: pyrimidines.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia