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Energy separation between the open ( C 2 v ) and closed ( D 3 h ) forms of ozone

1977; American Institute of Physics; Volume: 67; Issue: 2 Linguagem: Inglês

10.1063/1.434854

1520-9032

Robert R. Lucchese, Henry F. Schaefer,

Chemical Thermodynamics and Molecular Structure

Configuration interaction calculations were performed using the currently developed BERKELEY system of programs on ozone, and the energy difference between closed and open isomers was determined. (AIP)