Theoretical Study of the Structures, Properties and Spectroscopies on Fullerene Hydrides C26Hn(n
โ Scribed by Bo Hong; Ying-Fei Chang; Li-Li Sun; Xiu-Mei Pan; Rong-Shun Wang
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 287 KB
- Volume
- 22
- Category
- Article
- ISSN
- 1040-7278
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Possible isomers of Buckminsterfullerene derivatives C O and C O 60 2 60 3 are studied with the semiempirical quantum mechanical INDO method. The C O 60 2 isomer of C symmetry, where the epoxy oxygen atoms are on the 6แ6 bond of a s hexagon, is found most stable. The C O isomer of C symmetry with a
## Abstract Theoretical investigations are performed for the first time on the simplest hydrogenated germanium cyanide [H,Ge,C,N], whose analogs [H,C~2~,N] and [H,Si,C,N] have been detected in space and laboratory, respectively. The detailed potential energy surfaces in both singlet and triplet sta