✦ LIBER ✦
Semiempirical calculation of electronic redistributions in interacting molecular systems III. Localized charge distributions 1n the hydration complexes of cations and anions
✍ Scribed by Joanna Sadlej
- Publisher
- Elsevier Science
- Year
- 1976
- Weight
- 324 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0001-8716
No coin nor oath required. For personal study only.
✦ Synopsis
The localized molecular orbitals for the hydration complexes of Hf and Li+ cations, F-anion, and linear dimer of water molecules are obtained from their CND0/2 wavefunctions. The bonding of these systems is qualitatively discussed in the light of the localized orbitals.