Theoretical Studies of the Atmospheric Triatomic Molecules H₂O, N₂O, NO₂, CO₂, O₃, and their Ions
Description:
Definitive location of excited energy levels and the delineation of reaction mechanisms were provided by ab initio calculations of the triatomic atmospheric molecules and their ions. Linear geometry to bent geometry correlation diagrams were also determined. These provide simple ways of predicting reaction possibilities. Potential energy surfaces were computed for the ground ²B₁ and ²B₂ states of H2O⁺. Previous theoretical spectra of carbon dioxide were shown to be of limited accuracy and there…
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Date:
1977?
Creator:
Wahl, Arnold C.; England, Walter B.; Rosenberg, Bruce J.; Hopper, Darrel G. & Fortune, Patrick J.
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