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- W2060975114 abstract "Accurate three-mode vibrational calculations of energies of highly excited overtone and combination stretch states of HCN (n1, 0, n3) are presented using the Murrell—Carter—Halonen potential. The calculations employ rotated, mass-scaled Jacobi coordinates, and a bending basis adapted specifically for the ground bend states. The three-mode energies are compared with the results of a simple, two-mode stretch model of Botschwina which includes bend—stretch coupling perturbatively. Comparisons are also made with previous three-mode calculations for lower energy states, as well as with experimental energies." @default.
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- W2060975114 date "1990-12-01" @default.
- W2060975114 modified "2023-09-26" @default.
- W2060975114 title "Calculations of highly excited vibrational energies of HCN (n1, 0, n3): a test of a two-mode model, and comparison with experiment" @default.
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- W2060975114 doi "https://doi.org/10.1016/0009-2614(90)85560-y" @default.
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