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• W1971350650 abstract "Analytic expressions of corrections for the breakdown of the Born–Oppenheimer approximation to Dunham’s Yij with optimal parameters, i.e., determinable clusters of expansion coefficients, are applied to a data analysis of the rotational and vibrational–rotational transitions of HF reported in the literature. All the available spectral lines of the two isotopologues, DF and HF, are simultaneously fitted to a single set of molecular parameters of HF within experimental errors. Fitting of a data set of 595 spectral transitions for DF and HF has generated only 20 minimal independent parameter values, i.e., “irreducible” molecular constants of HF, that are sufficient to precisely generate 82 Yij coefficients and 144 band constants in total: 41 Yij and 72 band constants each for DF and HF." @default.
• W1971350650 created "2016-06-24" @default.
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• W1971350650 creator A5055010069 @default.
• W1971350650 date "2011-02-01" @default.
• W1971350650 modified "2023-09-23" @default.
• W1971350650 title "Simultaneous analysis of rotational and vibrational–rotational spectra of DF and HF to obtain irreducible molecular constants for HF" @default.
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• W1971350650 doi "https://doi.org/10.1016/j.chemphys.2010.12.011" @default.
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