Computational evaluation of the relative production yields in theX@C-74 series (X = Ca, Sr, Ba)

Abstract

Computations on Ca@C-74, Sr@C-74 and Ba@C-74

Keywords

• computed temperature development
• spectroscopic characterization
• endohedral metallofullerenes
• fullerenes
• isomers
• ca-at-c-72
• dynamics
• ba-at-c-74
• separation
• entropies