Global and local reactivity indices for electrophilic/nucleophilic free radicals
✍ Scribed by Domingo, Luis R.; Pérez, Patricia
- Book ID
- 120319765
- Publisher
- Royal Society of Chemistry
- Year
- 2013
- Tongue
- English
- Weight
- 901 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1477-0520
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract In a very recent article (Torrent‐Sucarrat et al., J Comput Chem 2007, 28, 574), we have shown how to evaluate the global hardness for polyatomic molecules using a hardness kernel approximation. We present here an extension of this previous work by improving the model used to evaluate t
## Abstract The regioselectivity of the 1,3‐dipolar cycloaddition (13DC) reactions of benzonitrile __N__‐oxides (BNOs) with electrophilic and nucleophilic alkenes has been analyzed by using global and local nucleophilicity and electrophilicity reactivity indices defined within the conceptual DFT. T