Calculations of highly excited vibration
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Bela Gazdy; Joel M. Bowman
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Article
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1990
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Elsevier Science
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English
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Accurate three-mode vibrational calculations ofenergies ofhighly excited overtone and combination stretch states of HCN(n,, 0, n,) are presented using the Murrell-Carter-Halonen potential. The calculations employ rotated, mass-scaled Jacobi coordinates, and a bending basis adapted specifically for t