Structures and energetics of borafullerene dimer conformers
We studied the geometrical structures and energetics of borafullerene dimer conformers by using the semiempirical Hartree-Fock (HF) MNDO and ab initio quantum chemical methods. The anti conformer is more stable than the syn. The most stable conformer is the gauche form.
- Publisher
- ELSEVIER SCIENCE SA
- Issue Date
- 2003-04
- Language
- English
- Article Type
- Article; Proceedings Paper
- Keywords
DOPED C-60; SUPERCONDUCTIVITY; C59B
- Citation
SYNTHETIC METALS, v.135, pp.723 - 724
- ISSN
- 0379-6779
- Appears in Collection
- CH-Journal Papers(저널논문)
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