Research output: Contribution to journal › Article › peer-review
The model of the anharmonic dipole moment function of the H-bonded complex AH...B is applied to C6H5OH(D) complexes with acetonitrile and pyridine. The frequencies and absolute intensities data for the overtones and the fundamental absorption bands in a wide spectral region (8000-50 cm-1) and derivatives of the dipole moment function are presented and compared with ab initio calculation results on the DFT B3LYP/6-31G** level.
Original language | English |
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Pages (from-to) | 239-246 |
Number of pages | 8 |
Journal | Journal of Molecular Structure |
Volume | 448 |
Issue number | 2-3 |
DOIs | |
State | Published - 20 Jul 1998 |
ID: 90572443