Potential-energy surfaces for various channels of the reaction have HNO ϩ 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 ϩ cis-HONO anism. Based on TST calculations of the rat
✦ LIBER ✦
Rate Constant of the HONO + HONO → H 2 O + NO + NO 2 Reaction from ab Initio MO and TST Calculations
✍ Scribed by Mebel, A. M.; Lin, M. C.; Melius, C. F.
- Book ID
- 126774958
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 69 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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