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Does Al(4)H(14)(—) cluster anion exist? High-level ab initio study
A comprehensive ab initio investigation using coupled cluster theory with the aug-cc-pVnZ, n = D,T basis sets is carried out to identify distinct structures of the Al(4)H(14)(—) cluster anion and to evaluate its fragmentation stability. Both thermodynamic and mechanistic aspects of the fragmentation...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer-Verlag
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3382283/ https://www.ncbi.nlm.nih.gov/pubmed/22281811 http://dx.doi.org/10.1007/s00894-012-1353-z |