Hide/Show Apps

AM 1 treatment of endohedrally hydrogen doped C-56 systems, nH(2)@C-56

Türker, Burhan Lemi
Gumus, S
Endohedrally hydrogen doped C-56 systems (nH(2)@C-60, obtained from C-60 structure) have been theoretically investigated at the level of AM 1 (UHF) type quantum chemical treatment. The calculations have indicated that the all structures are stable but endothermic in nature. Also some geometrical and physicochemical properties have been reported.