Hide/Show Apps

An AM1 study on C-60@C-180 system

2004-04-09
Türker, Burhan Lemi
Gumus, S
AM1 type (RHF) semi-empirical calculations are performed on endohedrally C-60 doped C-180 structure to examine the electronic and structural properties. The molecule is found to be stable but endothermic in nature.