𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Mechanisms for the Reactions of Hydroxyl Radicals with Acrolein: A Theoretical Study

✍ Scribed by Olivella, Santiago; Solé, Albert

Book ID
126435859
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
290 KB
Volume
4
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A theoretical study of the abstraction r
A theoretical study of the abstraction reactions of hydroxyl radicals with halogenated aldehydes
✍ M.T. Rayez; D.J. Scollard; J.J. Treacy; H.W. Sidebottom; C. Balestra-Garcia; S. 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 597 KB

The semi-empirical quantum mechanical molecular orbital method PM3 has been used to investigate the nature of the transition states for the reactions of hydroxyl radicals with halogenated aldehydes. For each reaction, the geometric and electronic structures of the transition state corresponding to t

Theoretical study of reaction of trifluo
Theoretical study of reaction of trifluoromethyl radical with hydroxyl and hydrogen radicals
✍ Fukaya, Haruhiko; Ono, Taizo; Abe, Takashi 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 194 KB 👁 2 views

Ab initio molecular orbital theory and density functional theory calculations have been carried out on the reactions of the trifluoromethyl radical with the hydroxyl and the hydrogen radicals. These reactions are key reactions that underlie a new fire extinguishing mechanism of non-bromine-containin