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Characterization of intermediates on the 1O2 + R2S potential energy surface. A high-level ab initio study

✍ Scribed by Christine Shangguan; Michael A. McAllister


Book ID
114142573
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
585 KB
Volume
422
Category
Article
ISSN
0166-1280

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Ab initio potential energy surfaces for
✍ Alice Vegiri; Stavros C. Farantos πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 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