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Full Dimensional Quantum Calculations of Vibrational Energies of N -Methyl Acetamide

✍ Scribed by Kaledin, A. L.; Bowman, J. M.


Book ID
126053213
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
105 KB
Volume
111
Category
Article
ISSN
1089-5639

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Converged nine-dimensional vibrational eigenvalue calculations are reported for forty energy levels of (HF), for the case of zero total angular momentum. The effect of H-F stretching motions on the van der Waals bound states is assessed by comparing the results to seven-dimensional calculations in w