Excitovane elektronicke stavy a relativni stability C80

Abstrakt

Vypocety C80

Klíčová slova

• fullerenes
• C-80 isomers
• electronic properties
• relative stability of clusters
• electronic partition functions
• MP2=FC/6-31G*separation energies
• endohedral dimetallofullerenes
• correlation-energy
• isomers
• fullerenes
• density
• c-78
• la-2-at-c-80
• spectroscopy
• mg-at-c-72
• difference