Sc3N@C80: Computations on the Two-Isomer
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ZdenΔk Slaninaβ; Shigeru Nagase
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Article
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2005
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John Wiley and Sons
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English
β 90 KB
## Abstract __Reported herein are computations on the relative concentrations of the two experimentally known isomers of Sc~3~N@C~80~ , that is, those produced by encapsulation of Sc~3~N in two particular C~80~ cages that obey the isolatedβpentagon rule, namely, with__ I~h~ __and__ D~__5__h~ __symm