## Abstract The complex doublet potential energy surface for the reaction of ^1^CHF with NO~2~, including 14 minimum isomers and 30 transition states, is explored theoretically at the B3LYP/6β311G(d,p) and CCSD(T)/6β311G(d,p) (singleβpoint) levels of theory. The initial association between ^1^CHF a
Theoretical Studies on the Mechanism of Formation of Silicon Dioxide (SiO2)
β Scribed by L. K. Rutz; H. Bockhorn
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- German
- Weight
- 73 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0009-286X
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π SIMILAR VOLUMES
## Abstract The singlet potential energy surface of the [CFNO~2~] system is investigated at the B3LYP and CCSD(T) (singleβpoint) levels to explore the possible reaction mechanism of CF radical with NO~2~. The top attack of Cβatom of CF radical at the Nβatom of NO~2~ molecule first forms the adduct
## Abstract The radicalβmolecule reaction mechanism of ^1^CHCl with NO~2~ has been explored theoretically at the B3LYP/6β311G(__d, p__) and CCSD(T)/6β311G(__d, p__) (singleβpoint) levels of theory. Thirteen minimum isomers and 29 transition states are located. The initial association between ^1^CHC