Abstract
Structures, energetics, vibrations, and thermodynamics of the title species were evaluated within the AM1 semiempirical method. Whereas this method also indicates that C 70( D 5 h ) is the more abundant component of an equilibrium gas-phase mixture than the C 60( I h ) cluster, the possible effect of pressure on the relative stability of C 60 vs C 70 species was pointed out. A comparison with MMP2 and MNDO results is also made.
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