Interaction of Ca2+ and Mg2+ with Ionoph
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Martin Welti; ErnΓΆ Pretsch; Enrico Clementi; Wilhelm Simon
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Article
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1982
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John Wiley and Sons
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German
β 559 KB
## Abstract Atom pair potentials are obtained from __ab initio__ SCFβLCAOβMO calculations for model complexes of Mg^2+^ and Ca^2+^ with __N__, __N__βdimethylacetamide, and malonamide. The SCFβLCAOβMO interaction energies for 271 complexes of Mg^2+^ and 271 complexes of Ca^2+^ with these amides were