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Geometric parameters, values of force constants and vibration frequencies for different geometric configurations of enolic and ketonic forms of molecules of β-diketones, R″COCH2COR′ (R″ and/or R′ are H, CH3, CF3) have been computed by the ab initio method MO LCAO SCF using wide bases of Cartesian Gaussians. The enolic form of the considered molecules is most energetically favorable. Values of isomerization...
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