Semiempirical quantum-chemical calculations on the protonation of some N-bridgehead heterocycles
✍ Scribed by P. Nagy; K. Hankó-Novák; G. Szász
- Book ID
- 117992681
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 487 KB
- Volume
- 153
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The problems of semiempirical quantum chemical calculations of (a) spin densities in paramagnetic organometallics, (b) hydrogen bonds, and (c) bond energies and the structure of transition-metal compounds are discussed. Some modifications of the existing semiempirical quantum chemical method are pre
The protonation of acetylene and ethylene (yielding the vinyl aqueous basicities afforded the hydration energies of the protonated bases. It was found that the aqueous protonation of and ethyl cation, respectively) was investigated computationally by ab initio calculations [B3LYP/6-31G(d,p)], in the