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Theory of vibrational circular dichroism: trans-2,3-dideuteriooxirane

✍ Scribed by Jalkanen, K. J.; Stephens, Philip J.; Amos, R. D.; Handy, N. C.


Book ID
126034749
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
314 KB
Volume
110
Category
Article
ISSN
0002-7863

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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. Th

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