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18O spectrum, while all other bands observed remain unshifted between the isotopomers.
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A recent example of bandshape asymmetry attributed to δx < 0 in an anharmonic excited state is found in: Miskowski, V. M.; Rice, S. F.; Gray, H. B.; Dallinger, R. F.; Milder, S. J.; Hill, M. G.; Exstrom, C. L.; Mann, K. R. Inorg. Chem. 1994, 33, 2799-2807.
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47
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85069017941
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note
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In the case of a large excited-state distortion, eq 3 is no longer valid and a more accurate expression must be used. Comparison of RREPs calculated from eq A13 and eq 1 (which leads to eq 3) for the two-mode problem using large distortions reveals that the eq A13 RREPs have their maxima at higher energy than the eq 1 RREPs, and both the relative and absolute intensities differ between the two solutions.
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49
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