| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394512 | Computational and Theoretical Chemistry | 2012 | 10 Pages |
Abstract
⺠The interaction energy IE of electronic states of HBF is calculated. ⺠RCCSD(T) /aug-cc-pVQZ+Tao level of theory is used. ⺠Vertical IE shifts with respect to the isolated BF molecule are computed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mary C. Salazar, Carlos E. Manzanares, Antonio J. Hernández,