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|Title:||How strong is the Ag+-ligand bond?||Authors:||Ma, N.L.||Issue Date:||27-Nov-1998||Citation:||Ma, N.L. (1998-11-27). How strong is the Ag+-ligand bond?. Chemical Physics Letters 297 (3-4) : 230-238. ScholarBank@NUS Repository.||Abstract:||A computationally efficient method for calculating the affinity of the silver ion for C-, H-, N-, O- and S-containing ligands is proposed. The silver affinities of 18 ligands and the geometries of these complexes are reported. By comparing with experimental data, the root-mean-square error of this method is found to be 8 kJ mol-1. Our results suggest that even though the interaction between Ag+ and the ligands studied is predominantly electrostatic in nature, covalent interaction is important in determining the relative ligand affinity and geometry of the complexes. © 1998 Elsevier Science B.V. All rights reserved.||Source Title:||Chemical Physics Letters||URI:||http://scholarbank.nus.edu.sg/handle/10635/93971||ISSN:||00092614|
|Appears in Collections:||Staff Publications|
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