Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations
Research output: Contribution to journal › Journal article › Research › peer-review
| Original language | English |
|---|---|
| Journal | Journal of Molecular Modeling |
| Volume | 18 |
| Issue number | 6 |
| Pages (from-to) | 2471-2478 |
| Number of pages | 8 |
| ISSN | 1610-2940 |
| DOIs | |
| Publication status | Published - 2012 |
- Faculty of Science - harmonic frequency, anharmonic frequency, Quantum Chemistry, Computational Chemistry, Vibrational Spectroscopy
Research areas
ID: 34382496