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- W2039488977 abstract "Abstract Potential energy surfaces of electonically excited H 2 CO (S 1 , T 1 ), F 2 CO (S 1 ), and Cl 2 CO (S 1 ) molecules are investigated by means of multiconfigurational ab initio approaches. The theoretical estimations of inversion barrier heights calculated by different ab initio method and the relative energies of inversion vibrational levels are compared to the experimental data." @default.
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- W2039488977 title "Structure and dynamics of conformationally non-rigid molecules in excited electronic states: Ab initio calculations of the R2CO (R=H, F, Cl)" @default.
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- W2039488977 doi "https://doi.org/10.1016/s0022-2860(98)00813-8" @default.
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