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Benjelloun, A.T.; Daoudi, A.; Chermette, H.
Interaction of lead atom with atmospheric dioxygen and ozone: Quantic study of the structure and the stability of resulting PbOn (n=1,2,3) compounds
J. Chem. Phys.
PbO2(1A_1-) → O2(X3Sigma_g-) + Pb
no rate data available
1) The paper discusses isomerization among the lead oxide isomers.
2) Stable species, intermediates, and transition states of possible resulting complexes have been studied with the three parameter hybrid B3LYP exchange-correlation DFT method, and coupled cluster with single, double, and triple excitation methods. Geometry, and spectroscopic and thermodynamic properties obtained for the different species are presented, discussed, and compared to available experimental data.
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