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Theoretical studies on the potential energy surfaces and vibrational energy levels of HXeF and HXeCl

✍ Scribed by ZhengGuo Huang; DaiQian Xie; Hua Zhu


Book ID
107348589
Publisher
SP Science China Press
Year
2007
Tongue
English
Weight
464 KB
Volume
50
Category
Article
ISSN
1674-7291

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πŸ“œ SIMILAR VOLUMES


An ab initio potential energy surface an
✍ Zheng Guo Huang; Lei Yu; Yu Mei Dai πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 315 KB

## Abstract A three‐dimensional potential energy surface of the electronic ground state of ZnH~2~ (${X}^1\sum \_g^ +$) molecule is constructed from more than 7500 __ab initio__ points calculated at the internally contracted multireference configuration interaction with the Davidson correction (icMR

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