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Density functional theory study of adamantanediyl dications C(10)H(14)(2+) and protio-adamantyl dications C(10)H(16)(2+)
Structures of the isomeric adamantanediyl dications C(10)H(14)(2+) and protio-1- and protio-2-adamantyl dications C(10)H(16)(2+) were investigated by using the density functional theory (DFT) method at the B3LYP/6–31G** level. Four structures, 1 b–e, were found to be minima on the potential energy s...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2004
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC503712/ https://ncbi.nlm.nih.gov/pubmed/15263093 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0404137101 |
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