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- W143037148 abstract "Abstract In this paper the HCN CNH isomerization system is treated as a single molecule, and the appearance of the A 1 A″- X 1 Σ + electronic band system, both in absorption and emission, and allowing for high excitation of the bending vibration, is calculated. The ground state potential curve of HCN CNH used was previously obtained by least-squares fitting to experimental data [S. C. Ross and P. R. Bunker, J. Mol. Spectrosc. 101, 199–211 (1983)]. The A 1 A″ excited state potential curve is obtained here by fitting to the experimental data available in the region of the HCN minimum, and by using some ab initio results. The vibrational wavefunctions and energies obtained from these curves are used to calculate the positions and relative intensities of the bands in the A - X absorption and emission spectra. The comparison of the HCN results with observations, and the predictions for CNH, are discussed." @default.
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- W143037148 date "1984-06-01" @default.
- W143037148 modified "2023-09-26" @default.
- W143037148 title "A theoretical study of the electronic band system of" @default.
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- W143037148 doi "https://doi.org/10.1016/0022-2852(84)90227-3" @default.
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