A b i n i t i o SCF calculations on molecular silicon dioxide
- 1 August 1978
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (3) , 963-967
- https://doi.org/10.1063/1.436681
Abstract
A b initio SCF calculations are performed on molecular silicon monoxide and dioxide. These computations show that the electronic ground state for molecular SiO2 is 1Σ+g and has a D∞h geometry, and that molecular SiO2 is bound with respect to SiO(1Σ+) and O(1D). Vibrational frequencies are computed in order to aid in the identification of this enigmatic species.Keywords
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