The theory of vibrational circular dichroism: trans-1,2-dideuteriocyclobutane and propylene oxide
作者： M.A. Lowe , P.J. Stephens , G.A. Segal
DOI: 10.1016/0009-2614(86)87023-3
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摘要: Abstract A rigorous theory of vibrational rotational strengths was recently developed by Stephens. We report the first comparisons calculations using this with experimental circular dichroism data. The is implemented SCF MO electronic wavefunctions and a 4-31G basis set. molecules studied are trans-l,2-dideuteriocyclobutane propylene oxide. Encouraging agreement between experiment obtained.
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