Ab-initio-Studien an N- Acyliminium-Ionen
β Scribed by Bernd Lamatsch; Dieter Seebach; Tae-Kyu Ha
- Publisher
- John Wiley and Sons
- Year
- 1992
- Tongue
- German
- Weight
- 755 KB
- Volume
- 75
- Category
- Article
- ISSN
- 0018-019X
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β¦ Synopsis
N-Acyliminium-Ionen zeichnen sich gegeniiber Iminium-Ionen durch ihre wesentlich hohere Reaktivitat aus [4], durch die sie zu einem Angriff selbst auf extrem schwache Nucleophile wie Nitrobenzol[9] befahigt sind.
π SIMILAR VOLUMES
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,
Preliminary results of ab initio unrcstiictcd Hnrtree-Fock calculations for the potential enerfiy surfact for the reaction N' + Hz + Nil+ + H ae reported. For the collinear approach of Nf to Hz, the 3 - x surface has no activation barrier and has a shallow well (n. 1 eV). For perpendicular approach
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