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A floating spherical Gaussian orbital model of molecular structure

✍ Scribed by Arthur A. Frost

Publisher
Springer
Year
1970
Tongue
English
Weight
272 KB
Volume
18
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

A floating spherical gaussian orbital mo
A floating spherical gaussian orbital model of molecular structure. XII. Analysis of energy terms affecting the geometry of the water molecule
✍ M. Afzal; A. A. Frost πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 526 KB

## 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 exclu

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✍ R. C. Rastogi; N. K. Ray πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 230 KB

## Abstract The FSGO model has been used to make __ab initio__ calculations of the geometry of B~2~H ion. The results indicate that the acetylenic structure has the lowest energy (βˆ’43.881 a.u.) and the planar structure has the highest energy (βˆ’43.838 a.u.). The energy of the non‐symmetric structure