The Energetic and Structural Effects of
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Christian Boehme; Georges Wipff
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Article
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2001
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John Wiley and Sons
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English
โ 221 KB
๐ 1 views
Metal ยฑ ligand binding strength and selectivity result from antagonistic metal ยฑ ligand M ยฑ L attractions and ligand ยฑ ligand L ยฑ L repulsions. On the basis of quantum-mechanical (QM) calculations on lanthanide complexes, we show that this interplay determines the binding affinities in the gas phase