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Ab initiostudy of scandium fluoride molecules: ScF, ScF2, AND ScF3

✍ Scribed by V. G. Solomonik; A. A. Mukhanov


Book ID
114989491
Publisher
SP MAIK Nauka/Interperiodica
Year
2012
Tongue
English
Weight
192 KB
Volume
53
Category
Article
ISSN
0022-4766

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Ab initioLCAO MO SCF calculation of pote
✍ Keiko Morita; Hiroshi Sato; Eiichi Ishiguro πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 245 KB

## Abstract The SCF potential surface of the ground state for NO~2~ was calculated by using program JAMOL 3. The McLean–Loew–Berkowitz CGTO's were used as basis functions. One of the two Nο£ΏO distance __R__ is fixed to 2.25 a.u. and the other one __r__ and the ONO angle ΞΈ are varied from 2.25 to 5.0

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