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Potential Energy Surface and Product Branching Ratios for the Reaction of Dicarbon, C 2 (X 1 Σ g+ ), with Methylacetylene, CH 3 CCH(X 1 A 1 ): An Ab Initio/RRKM Study

✍ Scribed by Mebel, A. M.; Kislov, V. V.; Kaiser, R. I.


Book ID
126330863
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
753 KB
Volume
110
Category
Article
ISSN
1089-5639

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Ab initio potential energy surfaces for
✍ Alice Vegiri; Stavros C. Farantos 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 633 KB

The mechanism of electronic quenching of the A 2A state of CH by ground-state H, is qualitatively investigated by calculating the appropriate potential energy surfaces. It is shown that the appearance of an early potential barrier of 0.15 eV and of a late barrier of 0.6 eV on the potential energy su