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
A theoretical study of buckminsterfullerene reaction products: C60+C60
โ Scribed by Douglas L. Strout; Robert L. Murry; Chunhui Xu; Wade C. Eckhoff; Gregory K. Odom; Gustavo E. Scuseria
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 630 KB
- Volume
- 214
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
l a -Fig. . Crystal structure of 2a [3, Prim cyclization. Subsequent pinacol rearrangement provides 5.[51 Desilylation and cyclization affords the tetrahydrofuran 6, whose labile glycosidic bond is cleaved by trimethylsilyl iodide to give the cyclic oxonium ion 8. Unreacted glycoside 6 adds to 8 to
Semi-empirical, ab initio Hartrce-Fock, and density functional studies (including gradient corrections) on the structures and stabilities of C,O and C&H2 are reported. Two low-energy isomers are found for both compounds which are roughly comparable in energy. These are obtained by bridging across th