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Fourier transform Raman spectrum of polycrystalline pyrazole, vibrational assignment and ab initio calculations

โœ Scribed by J. R. Durig; M. Mamula Bergana; W. M. Zunic


Publisher
John Wiley and Sons
Year
1992
Tongue
English
Weight
619 KB
Volume
23
Category
Article
ISSN
0377-0486

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The Fourier transform Raman spectrum of liquid methanesulfonic acid, CH~SOZOH, was recorded and the spectral data were interpreted in detail. Ab initio calculations were carried out with different basis sets up to MP2/6-311+G(2d,2p), from which structural parameters and conformational stabilities we