Vibrational analysis of TeCl4. II. A Har
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Attila Kovács; Gábor I. Csonka
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Article
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1997
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John Wiley and Sons
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English
⚖ 251 KB
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The geometry and vibrational spectrum of TeCl was calculated with 4 w Ž . various quantum chemical methods Hartree᎐Fock, second-order Møller-Plesset MP2 Ž . x and generalized gradient approximation density functional theory GGA-DFT . Five different basis-set combinations were tested: the relativisti