Raman and IR spectra and DFT/G-09 molecular analysis with vibrational study and related other parameters of 5-methyluracil

The density functional theory computation has been carried out for the analysis of 5-methyluracil with help of a standard program of DFT/Gaussian-09 & GAR2PED. Recorded spectra (Raman & IR) of 5-methyluracil have been studied for their fundamental vibrational frequencies in the light of DFT...

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Veröffentlicht in:	Indian journal of physics 2023-04, Vol.97 (4), p.1037-1053
Hauptverfasser:	Singh, J. S., Khan, Mohd. Shahid, Uddin, Saeed
Format:	Artikel
Sprache:	eng
Schlagworte:	Astrophysics and Astroparticles Biomolecules Charge distribution Charge transfer Density functional theory Electron density Energy gap Infrared spectroscopy Molecular orbitals Molecular structure Original Paper Physics Physics and Astronomy Spectra
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