## 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 (−43.881 a.u.) and the planar structure has the highest energy (−43.838 a.u.). The energy of the non‐symmetric structure
Application of the floating spherical gaussian orbital (F.S.G.O.) model to the determination of photoelectron spectra of alkanes
✍ Scribed by J. M. André; M. E. Lambert-Gérard; C. H. Lamotte
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 278 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0037-9646
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📜 SIMILAR VOLUMES
## 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
The higher homologues of n-alkanes H(CH2),H with N > -13 yield photoelectron spectra in which the (&-bands merge to form a double humped, unresolved C2,-band system in the interval of I = 15 to 25 eV [l]. It is shown that with the help of an equivalent bond orbital model one can derive a closed form