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- W2079454390 abstract "A rigorous theory of vibrational rotational strengths was recently developed by Stephens. We report the first comparisons of calculations using this theory with experimental vibrational circular dichroism data. The theory is implemented using SCF MO electronic wavefunctions and a 4-31G basis set. The molecules studied are trans-l,2-dideuteriocyclobutane and propylene oxide. Encouraging agreement between theory and experiment is obtained." @default.
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- W2079454390 date "1986-01-01" @default.
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- W2079454390 title "The theory of vibrational circular dichroism: trans-1,2-dideuteriocyclobutane and propylene oxide" @default.
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- W2079454390 doi "https://doi.org/10.1016/0009-2614(86)87023-3" @default.
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