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DFT calculations and vibrational (FT-IR, FT-Raman) spectra on an uracilyl-pyridinium salt

✍ Scribed by A. Schmidt; A.S. Lindner; F.J. Ramírez

Publisher: Elsevier Science
Year: 2007
Tongue: English
Weight: 504 KB
Volume: 834-836
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2006.09.037

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## Abstract Fourier transform infrared (FT‐IR) and Fourier transform (FT) Raman spectra of 3‐{[(2‐hydroxyphenyl)methylene]amino}‐2‐phenylquinazolin‐4(3H)‐one were recorded and analyzed. The vibrational wavenumbers of the title compound were computed using HF/6‐31G\* and 6‐311G\* basis sets and comp