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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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Bibliografiska uppgifter
I publikationen:Proc Natl Acad Sci U S A
Huvudupphovsmän: Rasul, Golam, Olah, George A., Prakash, G. K. Surya
Materialtyp: Artigo
Språk:Inglês
Publicerad: National Academy of Sciences 2004
Ämnen:
Länkar:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC503712/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/15263093/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.0404137101
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