Structure and vibrational dynamics of hy
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Katarina Demšar; Jernej Stare; Janez Mavri
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Article
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2007
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Elsevier Science
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English
⚖ 379 KB
Nature of a short hydrogen bond in hydrogenbissulfate ion was studied by quantum-chemical methods. Isolated triple charged anion is predicted to be unstable on the Hartree-Fock and Density Functional Theory levels using Pople basis sets with the exception of some small-size basis sets. For stable st