Computing relative stabilities of metallofullerenes by Gibbs energy treatments

Abstract

The paper presents computations on endohedral fullerene systems.

Keywords

• metallofullerenes
• Gibbs-energy evaluations
• cluster relative stabilities
• optimized syntheses
• fullerene-based nanoscience
• density-functional theory
• isolated-pentagon-rule
• endohedral metallofullerenes
• ca-at-c-82 isomers
• thermodynamic properties
• temperature development
• fullerene formation
• la-at-c-82 isomers
• chemical-shifts
• sc3n-at-c-80