An ab initio investigation of lithium io
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Cory C. Pye
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Article
📅
2000
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John Wiley and Sons
🌐
English
⚖ 356 KB
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The geometries and vibrational frequencies of Li H O , n s 4, 5, 6, 8, 18, 2 n Ž . and LiX H O , X s F, Cl, Br, I; n s 3, 6 are calculated at various levels up to MP2r 2 n 6-31qG\*. The solution structure and vibrational spectra with noncoordinating counterions are most consistent with our tetracoo