✦ LIBER ✦
A floating spherical gaussian orbital model of molecular structure. XII. Analysis of energy terms affecting the geometry of the water molecule
✍ Scribed by M. Afzal; A. A. Frost
- Publisher
- John Wiley and Sons
- Year
- 1973
- Tongue
- English
- Weight
- 526 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The energy terms arising in the water calculation by the FSGO method are analyzed as a function of the bond angle in order to gain insight into the reasons for the particular equilibrium configuration. The analysis is made in terms of symmetrically orthogonalized orbitals so as to exclude three‐ and four‐orbital electron repulsion terms.