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Ground electronic state and geometry of the CO ? 3 radical anion
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1976
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Localized Excited StateEngineeringComputational ChemistryChemistryElectronic Excited StateElectronic StructureSpectra-structure CorrelationQuantum MaterialsPhysicsPhysical ChemistryIndo MethodsC2v SymmetryQuantum ChemistryAb-initio MethodExcited State PropertyNatural SciencesAb Initio CalculationsGround Electronic StateRadical Anion
The ground electronic state of CO–3 has been shown by ab initio calculations to be a 2B1 state. It has a structure of C2v symmetry with a unique OCO angle of 131.36°. Calculated results show that EHT and INDO methods have failed to predict the structure of this species.