| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380331 | Chemical Physics Letters | 2015 | 6 Pages |
Abstract
- Spectroscopic constant values for heteronuclear dimers are calculated by DFT.
- Dissociation energy exhibits unambiguous dependency on the HF exchange term.
- PBE, B3PW91 and mPW1PW91 are reliable to predict experimental information for heteronuclear dimers.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Alvaro Posada-Borbón, Alvaro Posada-Amarillas,