Calculation of anharmonic intensities in vibrational spectra of raman scattering and full interpretation of the vibrational spectrum of trans-1,3-butadiene

Moscow University Chemistry Bulletin

Volumn 65, Issue 1, 2010, Pages 19-29

  Krasnoshchekov, S V ^a   Nechayev, V V ^b   Isayeva, E V ^a   Stepanov, N F ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b SARATOV STATE UNIVERSITY   (Russian Federation)

Author keywords

Anharmonic intensity; Anharmonic vibrations of molecules; B3LYP; Intensity of overtones and combination bands; IR and Raman spectra; Method of contact transformations; Perturbation theory; Quantum mechanical calculation; Trans 1,3 butadiene

Indexed keywords

EID: 77949943507     PISSN: 00271314     EISSN: None     Source Type: Journal    
DOI: 10.3103/S0027131410010025     Document Type: Article

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