| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380287 | Chemical Physics Letters | 2014 | 6 Pages |
Abstract
- Gn and CBS-x theory applied to probe non-covalent interactions in 47 clusters.
- Best results for CBS-APNO, G4 best for large clusters and CBS-QB3 if cost important.
- Long-range behavior of Gn and CBS-x improved with dispersion-sensitive DFT.
- M05-2X/CBS-QB3 hydrogen-bonding and stacking energies close to CCSD(T)/CBS values.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kono H. Lemke,