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