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Aggregation of molecules in liquid pyridine and its solutions: Raman spectra and quantum-chemical calculations

✍ Scribed by F.H. Tukhvatullin; B.G. Hudayberdiev; A. Jumabaev; H.A. Hushvaktov; A.A. Absanov


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
615 KB
Volume
155
Category
Article
ISSN
0167-7322

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## Abstract In this work we demonstrate how different modern quantum chemical methods can be efficiently combined and applied for the calculation of the vibrational modes and spectra of large molecules. We are aiming at harmonic force fields, and infrared as well as Raman intensities within the dou