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- W2001191646 abstract "The anion ClO4- and the ion pair of Li+ClO4- have been studied by ab initio quantum chemical methods. Optimized geometries for monodentate, bidentate, and tridentate structures have been determined up to the MP2/6-311+G* level of theory. Vibrational frequencies were determined for the ClO4- anion and the Li+ClO4- ion pair up to the HF/6-311+G* level of theory. Comparisons are made with experimental Raman spectra of electrolyte solutions. At the highest level of theory, the bidentate structure was found to be preferred over monodentate or tridentate configurations." @default.
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- W2001191646 date "1996-01-01" @default.
- W2001191646 modified "2023-10-18" @default.
- W2001191646 title "Lithium Perchlorate: <i>Ab Initio</i> Study of the Structural and Spectral Changes Associated with Ion Pairing" @default.
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- W2001191646 doi "https://doi.org/10.1021/jp9537825" @default.
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