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Performance of Møller-Plesset second-order perturbation theory and density functional theory in predicting the interaction between stannylenes and aromatic molecules
The performances of Møller-Plesset second-order perturbation theory (MP2) and density functional theory (DFT) have been assessed for the purposes of investigating the interaction between stannylenes and aromatic molecules. The complexes between SnX(2) (where X = H, F, Cl, Br, and I) and benzene or p...
Guardat en:
| Publicat a: | J Mol Model |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer Berlin Heidelberg
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4326664/ https://ncbi.nlm.nih.gov/pubmed/25677452 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-015-2589-1 |
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