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INTDER95 is a general program developed by Wesley D. Allen and co-workers that performs various vibrational analyses and higher order nonlinear transformations among force field representations. At the harmonic level, the transformations are elementary and involve standard B-matrix techniques; see, e.g., ref 1, pp 148-152 and the following: (a) Wilson, E. B., Jr.; Decius, J. C.; Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955. (b) Califano, S. Vibrational States; Wiley: New York, 1976.
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85088669822
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note
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13, which resulted in numerical instability of the corresponding intensities) when using the standard (75, 302) integration grid. The results given refer to the (85, 434) integration grid.
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36
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85088668041
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Lupinetti, A. J.; Jonas, V.; Thiel, W.; Frenking, G.; Strauss, S. H., submitted.
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85088669526
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6+, no minimum could be located
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6+, no minimum could be located.
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