Electrochemistry and Ab Initio Study of the Dimetallofullerene La2@C80
β Scribed by Dr. Toshiyasu Suzuki; Prof. Yusei Maruyama; Prof. Tatsuhisa Kato; Prof. Koichi Kikuchi; Yasuhiko Nakao; Prof. Yohji Achiba; Kaoru Kobayashi; Prof. Shigeru Nagase
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 399 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
irrndiiiled over 2 li ( L > 345 n m ) , during which additional ,V-methgl maleimide (3 x 2.5 ing. altogether 0.09 inmol) was added a t 30 min intervals The addition product \\a> is01;ited by flash chromatography on silica gel with ether,'cyclohexane ( 2 . 1 ) . 9: A solii~ion of 3 ( I S nig. 0.051 m
The result of an ab initio investigation on the hypothetical system N C 8 12 is presented. This is a fullerene-like structure with T symmetry. Calculations have been h Ε½ . Ε½ . performed at self-consistent field SCF , second-order MΓΈller-Plesset MP2 , and density Ε½ . Ε½ . functional theory DFT level,
Ab initio calculations of all indirect spin-spin coupling constants in the cis and tvans isomers of N,F, are discussed. The accuracy of the theoretical results is estimated and their values are compared with recent experimental data. Ab initio calculated values can be helpful in the analysis of the