| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5412147 | Journal of Molecular Liquids | 2012 | 7 Pages |
Abstract
⺠The complex refractive index of liquid pyrrole in the MIR and NIR range was determined. ⺠In the MIR region very thin layers with thicknesses of a few micrometers had to be used to obtain reliable data. ⺠The theoretical studies involved an evaluation of a few computational methods used for the spectra modelling process. ⺠The vibrational analysis based on anharmonic B2PLYP/N07D calculations was found to be most effective. ⺠Identification of numerous bands in the MIR range was possible.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
B.I. Åydżba-KopczyÅska, K.B. BeÄ, J. Tomczak, J.P. Hawranek,