✦ LIBER ✦
Three-body nonadditive effects for hydrogen bonded water molecules: SCF study of hydrated species including H2S and various metal ions
✍ Scribed by O. Novaro
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 673 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The relative importance of purely nonadditive three‐body terms in solvated systems is assessed through ab initio LCAO–MO–SCF studies of hydrogen bonded structures containing two or more water molecules plus a solvate species. Among the latter the cases of Li^+^, Ca^2+^, and Mg^2+^ ions (of biological interest for aminoacid release processes in membrane transport) and of HDS molecules (of industrial importance in processes for the production of heavy water) are studied.