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Synthesis and gas-phase vibrational circular dichroism of (+)-(S,S)-cyclopropane-1,2-2H2

โœ Scribed by Cianciosi, Steven J.; Spencer, Kevin M.; Freedman, Teresa B.; Nafie, Laurence A.; Baldwin, John E.


Book ID
126789403
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
395 KB
Volume
111
Category
Article
ISSN
0002-7863

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Ab initio locally distributed origin gau
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A new, locally distributed-origin gauge (LDO) model for calculating vibrational circular dichroism intensity, which requires only unperturbed, non-localized, ground-state electronic wavefunctions, is formulated. Implementation of the model at the ab initio level yields VCD intensities for (S, S)-oxi