Dual-Level Direct Dynamics of the Hydroxyl Radical Reaction with Ethane and Haloethanes: Toward a General Reaction Parameter Method
โ Scribed by Cory, M. G.; Bartlett, R. J.
- Book ID
- 126057324
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 183 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The dualโlevel direct dynamics approach is employed to study the dynamics of the CH~3~OCH~3~ + H (R1) and CH~3~OCH~3~ + CH~3~ (R2) reactions. Lowโlevel calculations of the potential energy surface are carried out at the MP2/6โ311+G(d,p) level of theory. Highโlevel energetic information
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