𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The NCO + NO Reaction Revisited: Ab Initio MO/VRRKM Calculations for Total Rate Constant and Product Branching Ratios

✍ Scribed by Zhu, Rongshun; Lin, M. C.


Book ID
125952400
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
64 KB
Volume
104
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio MO and TST calculations for th
✍ A. M. Mebel; M. C. Lin; K. Morokuma πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 180 KB πŸ‘ 2 views

Potential-energy surfaces for various channels of the reaction have HNO Ο© NO 2 been studied at the G2M(RCC,MP2) level. The calculations show that direct hydrogen abstraction leading to the products should be the most significant reaction mech-NO Ο© cis-HONO anism. Based on TST calculations of the rat