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- W2364655089 abstract "The equilibrium structure for the ground state of FO molecule has been calculated by using B3LYP method and cc-pVTZ basis set.On the basis of the single energy scanning,the analytic potential energy function of FO at the ground state is derived by least square fitting with the Murrell-Sorbie function.The force constants and spectrum constants are calculated.The obtained results show that the ground state is X2Π,internuclear distance Re is 0.135 03 nm,dissociation energy De is 2.406 5 eV,resonance frequency ωe is 1 130.863 cm-1 and rotation constant Be is 1.046 cm-1,respectively.The obtained results are in good agreement with experimental data." @default.
- W2364655089 created "2016-06-24" @default.
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- W2364655089 date "2010-01-01" @default.
- W2364655089 modified "2023-09-24" @default.
- W2364655089 title "Study on the Potential Energy Function for the Ground State of FO Molecule" @default.
- W2364655089 hasPublicationYear "2010" @default.
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