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Ab Initio Study of the Intermolecular Potential Energy Surface in the Ion-Induced-Dipole Hydrogen-Bonded O2–(X2Πg)–H2(X1Σg+) Complex

✍ Scribed by Fawzy, Wafaa M.


Book ID
111890044
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
701 KB
Volume
116
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