AM1 treatment of some C60H2 and Be@C60H2 systems

Türker, Burhan Lemi
Vicinally hydrogenated C-60 and endohedrally beryllium-doped vicinally hydrogenated C-60 structures are considered within the framework of AM1(SCF) type semiempirical calculations. The regioisomers and stereoisomers of the hydrogenated products are compared from thermodynamic point of view. Endohedrally beryllium-atom doping has been found stable for C60H2 systems having hydrogens inside the cage.

Citation Formats
B. L. Türker, “AM1 treatment of some C60H2 and Be@C60H2 systems,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 588, pp. 139–143, 2002, Accessed: 00, 2020. [Online]. Available: