Ab initio calculation of vibrational cir
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P.J. Stephens; C.F. Chabalowski; F.J. Devlin; K.J. Jalkanen
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Article
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1994
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Elsevier Science
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English
β 890 KB
Ah!?trrct Ab initio calculations of the vibrational circular dichroism (VCD) spectra of 2,3-trans-d+xirane (1 ), 1,2-trans-da-cyclopropane (2), l-'3C-1,2,3-anti-d3-cyclopropane (3), and propylene oxide (4) based on [ %4p2d/3s2p] MP2 harmonic force fields are reported. The results are in perfect qual