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- W2088576906 abstract "Abstract The object of the present work is to develop a model that provides realistic estimates of the vibrational level density in polyatomic molecules in a given electronic state, at very high (chemically relevant) vibrational excitation energies. For S 0 formaldehyde (D 2 CO), acetylene, and a number of triatomics, the estimates using conventional spectroscopic formulas have yielded densities at the dissociation threshold, very much lower than the experimentally measured values. In the present work we have derived a general formula for the vibrational energy levels of a polyatomic molecule, which is a generalization of the conventional Dunham spectroscopic expansion. Calculations were performed on the vibrational level density in S 0 D 2 CO, H 2 C 2 , and NO 2 at excitation energies in the vicinity of the dissociation limit, using the newly derived formula. The results from the calculations are in reasonable agreement with the experimentally measured data." @default.
- W2088576906 created "2016-06-24" @default.
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- W2088576906 date "2003-12-01" @default.
- W2088576906 modified "2023-09-26" @default.
- W2088576906 title "Calculations on the vibrational level density in highly excited formaldehyde" @default.
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- W2088576906 doi "https://doi.org/10.1016/j.chemphys.2003.08.016" @default.
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