Keto–enol systems of some fluorinated cyclopentanones and cyclobutanones: density functional theory calculations
✍ Scribed by Younghi Kwon
- Book ID
- 114143514
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 100 KB
- Volume
- 488
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Three isoelectronic reactions, proton transfer (PT), hydrogen abstraction (HA), and electron transfer (ET), of NH; with NH,, H,O, and HF have been studied using ab initio molecular orbital calculations. For the reaction of N H l + H,O, the energy of the transition state (TS) is higher than that of t
Calculations of nitrogen NMR parameters [chemical shifts δN and indirect nuclear spin-spin coupling constants ## and N N(SiH 2 CH 2 SiH 2 )] by density functional theory (DFT) methods [B3LYP/6-311+G(d,p) level of theory] provide data in reasonable agreement with experimental values. The influence