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-1) and the twisting angle of the double bond is about 50°.
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2942665493
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The rotational strengths were calculated in the length and velocity representations. The resulting values are very similar, and the errors due to basis set incompleteness are therefore very small, or negligible. See:;;;;,-7521
-
The rotational strengths were calculated in the length and velocity representations. The resulting values are very similar, and the errors due to basis set incompleteness are therefore very small, or negligible. See: Stephens, P. J.; McCann, D. M.; Devlin, F. J.; Cheeseman, J. R.; Frisch, M. J. J. Am. Chem. Soc. 2004, 126, 7514-7521
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31
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28044451321
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The use of more than one model enhances the reliability of the method, and it can serve as an evaluation of the amplitude of the possible error. See:;,-9834
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The use of more than one model enhances the reliability of the method, and it can serve as an evaluation of the amplitude of the possible error. See: Check, C. E.; Gilbert, T. M. J. Org. Chem. 2005, 70, 9828-9834
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32
-
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79952135720
-
-
neither of the enantiomers of the major diastereisomer 3a yielded crystals suitable for a structural determination by X-ray diffraction.
-
Neither of the enantiomers of the major diastereisomer 3a yielded crystals suitable for a structural determination by X-ray diffraction.
-
-
-
-
33
-
-
79952168608
-
-
-1).
-
-1).
-
-
-
-
34
-
-
79952141931
-
-
note
-
2O in the NMR sample should lead to a partial (or total) deuteration of the CH and Me groups, a feature that it is not experimentally observed. This confirms that the energy barrier determined is that of the rotation of the aryl group.
-
-
-
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35
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65549087073
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Swager, T.M.5
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