| Autor: |
Vereecken, Luc, Pierloot, Kristine |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 1/15/1998, Vol. 108 Issue 3, p1068, 13p, 3 Diagrams, 3 Charts, 1 Graph |
| Abstrakt: |
Examines the potential energy surface for the reaction of doublet methylidyne with acetylene using the B3LYP-DFT/6-31G quantum mechanical method. Importance of barrierless entrance channels; Discussion on the kinetic and mechanistic aspects of the reaction; Identification of dissociation pathways of the radicals leading to various isomers. |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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