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Interpolated potential energy surface for abstraction and exchange reactions of NH3+ H and deuterated analogues

✍ Scribed by Gloria E. Moyano; Michael A. Collins


Book ID
105885741
Publisher
Springer
Year
2005
Tongue
English
Weight
217 KB
Volume
113
Category
Article
ISSN
1432-2234

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A new H3 potential energy surface and it
✍ Albert C. Yates; William A. Lester Jr πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 540 KB

A new H3 potential energy hypersurface for arbitrary nuclear arrangements is generated fmm Liu's very accurate (eO.3 kcai/mole error) collinear ab initio calculation and compared with other general geometry surfaces. Preliminary classical trajectory calculations on the new hypersurface are presented