𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Opposite Roles of O 2 in NO− and N 2 O−Carbon Reactions: An Ab Initio Study

✍ Scribed by Zhu, Z. H.; Finnerty, J.; Lu, G. Q.; Yang, R. T.

Book ID
126805090
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
118 KB
Volume
105
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio study of the mechanism of the
Ab initio study of the mechanism of the atmospheric reaction: NO2 + O3 → NO3 + O2
✍ Julio Peiró-García; Ignacio Nebot-Gil 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 146 KB 👁 1 views

## Abstract The atmospheric reaction NO~2~ + O~3~ → NO~3~ + O~2~ (1) has been investigated theoretically by using the MP2, G2, G2Q, QCISD, QCISD(T), CCSD(T), CASSCF, and CASPT2 methods with various basis sets. The results show that the reaction pathway can be divided in two different parts at the M