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Does Oxygen Feature Chalcogen Bonding?
Using the second-order Møller–Plesset perturbation theory (MP2), together with Dunning’s all-electron correlation consistent basis set aug-cc-pVTZ, we show that the covalently bound oxygen atom present in a series of 21 prototypical monomer molecules examined does conceive a positive (or a negative)...
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| Gepubliceerd in: | Molecules |
|---|---|
| Hoofdauteur: | |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
MDPI
2019
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6749412/ https://ncbi.nlm.nih.gov/pubmed/31480378 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24173166 |
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