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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(...
Gardado en:
| Publicado en: | Molecules |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7179137/ https://ncbi.nlm.nih.gov/pubmed/32110922 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25051042 |
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