The bond Zen#hs and angles obtained by means of a 4-31G basis agee aith electron diffraction ddtd\_ The calculated Si-0-Si bending potenti& shoning a minimum for the linear xrangement. is discussed \\ith regard to avadsble experimental information. Calcutated dipole moments and ionization potenti&
Ab initio study of the molecular structure and potential energy surface of disiloxane
β Scribed by J. Koput
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 919 KB
- Volume
- 148
- Category
- Article
- ISSN
- 0301-0104
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A b initio calculations employing a standard double-zeta basis set augmented with various polarization functions have been used to investigate the lowest energy region of the ground-state potential energy surface of the formamide molecule. Hartree-Fock calculations with only d polarization functions
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