izvor podataka: crosbi
✓
Anharmonic vibrational spectra of acetylacetone (CROSBI ID 121451)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Matanović, Ivana ; Došlić, Nadja
Anharmonic vibrational spectra of acetylacetone // International journal of quantum chemistry, 106 (2006), 1367-1374-x
Podaci o odgovornosti
Matanović, Ivana ; Došlić, Nadja
engleski
Anharmonic vibrational spectra of acetylacetone
Spectroscopical proprieties of two energetically close conformers of acetylacetone have been investigated by using density functional methods. The calculated anharmonic frequencies are in very satisfactory agreement with experimental data. The low height of the conversion barrier explains why the signature of both conformers can be found in the vibrational spectrum.
density functional computation; harmonic approximation; anharmonic corrections
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano