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85033161640
-
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note
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0.49 (% p = 33.0) at the barrier top.
-
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28
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0000856637
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85033177210
-
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note
-
The C-O bond is calculated to strengthen in the DME rotated conformer.
-
-
-
-
31
-
-
85033177280
-
-
note
-
The repulsions listed in Table 5 have already taken into account the lone-pair reorganization.
-
-
-
-
32
-
-
85033160273
-
-
note
-
The magnitudes in Figure 6a are slightly altered from Figure 3a in ref 1 because the more extended basis set reported here has been utilized.
-
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33
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11744302001
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