Ab initio vibrational Raman and Raman op
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Polavarapu, P. L.
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Article
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1990
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American Chemical Society
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English
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Ab initio methods for vibrational Raman optical activity (VROA) spectral predictions are presented. Further developments that are desired for routine VROA predictions are pointed out. To assess the ab initio predictive capabilities, both Raman and VROA are considered. For evaluation of Raman predict