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Molecular orbital and DFT studies on water exchange mechanisms of metal ions

✍ Scribed by Hans Erras-Hanauer; Timothy Clark; Rudi van Eldik


Book ID
108314981
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
782 KB
Volume
238-239
Category
Article
ISSN
0010-8545

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πŸ“œ SIMILAR VOLUMES


Semiempirical molecular orbital calculat
✍ Sankar Prasad Bhattacharyya πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 236 KB

## Abstract A comparative analysis is carried out on the strengths of binding of a series of transition metal ions to a water molecule using CNDO type MO theory developed earlier. Comparative features of the energetics of metal–ligand bonds in aquo and amine complexes are also analyzed.