Li-x@C-60: vypocty enkapsulacnich energii a termodynamiky

Abstrakt

Vypocty Li_x@C60

Klíčová slova

• endohedral fullerenes
• calculated energetics and thermodynamics
• structure and bonding
• metallofullerene stabilities
• computational optimization of syntheses
• endohedral fullerenes
• electron-density
• li-at-c-60
• metallofullerenes
• spectroscopy
• ca-at-c-74
• complexes
• clusters
• motion
• atoms