Pyridine adsorption onto metal oxides: a
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R. Ferwerda; J.H. van der Maas; F.B. van Duijneveldt
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Article
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1996
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Elsevier Science
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English
⚖ 969 KB
In order to shed some light on the origin of the shifts of the vibrational frequencies of pyridine adsorbed on metal oxides, ab initio calculations have been performed. SCF methods may be used to assign and identify the pyridine vibrations of interest, although coupling of certain vibrational modes