Metallofullerenes MC82 (M = Sc, Y, and La). A theoretical study of the electronic and structural aspects
β Scribed by Shigeru Nagase; Kaoru Kobayashi
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 594 KB
- Volume
- 214
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Equilibrium structural parameters and dissociation energies of the bihalide ions, MXY-(M = H, Li, Na; X, Y = F, C1) have been calculated at the HF and post-HF (MPn) levels using 6-31 + G\* and 6-311 + G\* basis sets. All the species are predicted to be linear, and the calculated quantities are in go
## Abstract The PPP (__PariserβParrβPople__) method has been used to study the quinolizinium ion (**1**) and the four isomeric bromoquinolizinium ions (**2β5**). The results have been used to interpret their electronic absorption and emission (fluorescence, phosphorescence) spectra. Also, predictio