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Theoretical Study on the Aromaticity of the Pyramidal MB6 (M: Be, Mg, Ca, and Sr) Clusters.

โœ Scribed by Qian Shu Li; Qiao Jin


Publisher
John Wiley and Sons
Year
2003
Weight
48 KB
Volume
34
Category
Article
ISSN
0931-7597

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Intermediate neglect of differential overlap INDO method was used to ลฝ . study the structures and the electronic spectra of C M M s Li, Na, Be . The 60 12 ลฝ . calculations indicate that in the minimal energy configuration of C M M s Li, Na 60 12 the C cage still retains I symmetry and the 12 Li or N