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Theoretical study on stereodynamics of H + NeH+(v= 0,j= 0) → H2++ Ne reaction

✍ Scribed by ShuHui Yin, JingHan Zou, MingXing Guo, XueSong Xu, Hong Gao…

Book ID
120802044
Publisher
Springer
Year
2012
Tongue
English
Weight
745 KB
Volume
57
Category
Article
ISSN
1001-6538

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Theoretical study of the reaction Ne + H
Theoretical study of the reaction Ne + H+2 → NEH+ + H in the 2A′ ground state
✍ J. Urban; R. Jaquet; V. Staemmler 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 567 KB

## Abstract A three‐dimensional potential energy surface for the ^2^A′ ground state of the system (NeH~2~)^+^ (^2^Σ^+^ in collinear geometry) has been calculated at SCF and CEPA levels. This surface describes the abstraction reaction which is endoergic by 0.57 eV (Δ__H__^0^~0~) and has been studi