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Theoretical Study on the Small Clusters of LiH, NaH, BeH2, and MgH2

✍ Scribed by Yung-Lung Chen; Chun-Huei Huang; Wei-Ping Hu


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

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Theoretical Study on the Coupling Mode o
✍ Sun Qiao; Li Zhen; Zeng Xiao-Qing; Ge Mao-Fa; Wang Dian-Xu πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 118 KB

## Abstract The structural properties of two BrOο£ΏH~2~O (1 and 2) and three HOBrο£ΏH~2~O complexes (3, 4 and 5) have been investigated using four methods at the 6‐311++G(d,p) basis set level. In the two BrOο£ΏH~2~O complexes, the complex 2 with ^2^Aβ€² state, in which the interaction exists between Br ato