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Study of the C( 3 P) + OH(X 2 Π) → CO(X 1 Σ g+ ) + H( 2 S) Reaction: A Fully Global ab Initio Potential Energy Surface of the X 2 A‘ State

✍ Scribed by Zanchet, Alexandre; Bussery-Honvault, Beatrice; Honvault, Pascal


Book ID
120490914
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
270 KB
Volume
110
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


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