| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5415012 | Journal of Molecular Spectroscopy | 2010 | 9 Pages |
Abstract
⺠ab initio calculations of the rotation-vibrational energy levels. ⺠comparison with experimental data. ⺠quadratic empirical correction, Î(Ecalc), to improve predictive power of the results. ⺠correction accounts for non-adiabatic coupling and shortcomings of the potential energy surface.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Alexander Alijah,