Theoretical study of buckminsterfullerene derivatives C60Xn (X=H, F; n=2, 36, 60)
โ Scribed by Dirk Bakowies; Walter Thiel
- Book ID
- 107736489
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 584 KB
- Volume
- 192
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The equilibrium geometries, heats of formation, and harmonic vibrational frequencies of hydrogenated buckminsterfullerene derivatives CsOH60\_6n containing l-8 benzenaid units were computed using MNDO and AM1 methods. Although the Hessian indices indicate that all such structures are true minima, th
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