La-2@C-72 and Sc-2@C-72: vypocetni charakterizace

Abstrakt

Vypocty La2@C72 a Sc2@C72

Klíčová slova

• isolated pentagon rule
• endohedral metallofullerenes
• relative concentrations
• materials science
• chemical-shifts
• c-66 fullerene
• cage
• ca-at-c-72
• isomers
• energy