Complexes Between Adamantane Analogues B(4)X(6) -X = {CH(2), NH, O ; SiH(2), PH, S} - and Dihydrogen, B(4)X(6):nH(2) (n = 1–4)

In this work, we study the interactions between adamantane-like structures B(4)X(6) with X = {CH(2), NH, O ; SiH(2), PH, S} and dihydrogen molecules above the Boron atom, with ab initio methods based on perturbation theory (MP2/aug-cc-pVDZ). Molecular electrostatic potentials (MESP) for optimized B(...

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Detalles Bibliográficos
Autores principales: Oliva-Enrich, Josep M., Alkorta, Ibon, Elguero, José
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7179137/
https://www.ncbi.nlm.nih.gov/pubmed/32110922
http://dx.doi.org/10.3390/molecules25051042

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7179137/
https://www.ncbi.nlm.nih.gov/pubmed/32110922
http://dx.doi.org/10.3390/molecules25051042

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