Theoretical investigations are carried out on the multiple-channel reactions, CH 3 þ SiH(CH 3 ) 3 ! products and CF 3 þ SiH(CH 3 ) 3 ! products. The minimum energy paths (MEP) are calculated at the MP2/6-311 þ G(d,p) level, and energetic information is further refined by the MC-QCISD (single point)
Theoretical study of the reaction H + ClCH3 → HCl + CH3
✍ Scribed by R. Sayo´s; A. Aguilar; J.M. Lucas; A. Sole´; J. Virgili
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 668 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0301-0104
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