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Ab initio study of the vibrational properties of perfluoroacetaldehyde

โœ Scribed by Emilce Ottavianelli; Sergio Maluendes; Eduardo Castro; Alicia Jubert


Book ID
113256984
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
302 KB
Volume
210
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


Ab initio vibrational and dielectric pro
โœ R. Vali ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 872 KB

For the yttrium orthovanadate YVO 4 with a tetragonal zircon-type structure, the first complete set of Raman-active and IR-active phonon modes has been calculated using ab initio density functional perturbation theory. The calculated IR reflectivity spectra are in good agreement with available exper