Cargando…
Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters
[Image: see text] This work assesses the performance of DLPNO-CCSD(T(0)), DLPNO-MP2, and density functional theory methods in calculating the binding energies of a representative test set of 45 atmospheric acid–acid, acid–base, and acid–water dimer clusters. The performance of the approximate method...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7144154/ https://www.ncbi.nlm.nih.gov/pubmed/32280904 http://dx.doi.org/10.1021/acsomega.0c00436 |