Relativni stabilita izomeru C74

Abstrakt

Vypocty C74

Klíčová slova

• empty fullerenes
• cage stabilities
• cluster energetics
• electronic excited states
• density-funtional theory
• spectroscopic characterization
• am1 computations
• fullerenes
• metallofullerenes
• density
• c-80
• thermodynamics
• ca-at-c-74
• separation
• mixtures