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Theoretical study of the ground states of the rare-gas hydrides, HeH, NeH, and ArH

✍ Scribed by Partridge, Harry; Schwenke, David W.; Bauschlicher, Charles W.

Book ID
126287186
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
844 KB
Volume
99
Category
Article
ISSN
0021-9606

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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