The potential energy surface for the lowest singlet states for fluoroformaldehyde HFCO is calculated. The geometries of the reactant HFCO, the elimination products HF+CO and the isomerization product FC̈OH as well as the transition states have been determined with the ab initio SCF method. At these optimized geometries, CI calculations have been performed using the 6-31G basis sets. (AIP)
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Morokuma et al. (1980) studied this question.
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