Reaction-Path Selection with Molecular Orientation of CH 3 Cl on Si{100}
โ Scribed by Okada, Michio; Goto, Seishiro; Kasai, Toshio
- Book ID
- 126083372
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 73 KB
- Volume
- 129
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
To obtain essential information on the reaction dynamics for the prototype gas-phase S 2 reaction Cl y q CH Cl ยช ClCH q Cl y , the characteristic N 3 3 features of the potential energy surface in the local region around the reaction path were examined by the reaction path Hamiltonian constructed wit
The multiple channel reaction H + CH(3)CH(2)Cl --> products has been studied by the ab initio direct dynamics method. The potential energy surface information is calculated at the MP2/6-311G(d,p) level of theory. The energies along the minimum energy path are further improved by single-point energy