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An ab initio study of ground and excited states of NeH + , NeH and linear asymmetric NeH 2+

✍ Scribed by Vasudevan, Krishnaswamy

Book ID
120378593
Publisher
Taylor and Francis Group
Year
1975
Tongue
English
Weight
943 KB
Volume
30
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES

Theoretical study of the reaction Ne + H
Theoretical study of the reaction Ne + H+2 β†’ NEH+ + H in the 2Aβ€² ground state
✍ J. Urban; R. Jaquet; V. Staemmler πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 567 KB

## Abstract A three‐dimensional potential energy surface for the ^2^Aβ€² ground state of the system (Neο£ΏH~2~)^+^ (^2^Ξ£^+^ in collinear geometry) has been calculated at SCF and CEPA levels. This surface describes the abstraction reaction which is endoergic by 0.57 eV (Ξ”__H__^0^~0~) and has been studi