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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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Detalles Bibliográficos
Autor principal: Varadwaj, Pradeep R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6749412/
https://www.ncbi.nlm.nih.gov/pubmed/31480378
http://dx.doi.org/10.3390/molecules24173166

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