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36
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0011139172
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note
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n with E a second-row element; Q, a charged X group. Others are ap, antiperiplanar; g, gauche; syn, synperiplanar; xp, either antiperiplanar or synperiplanar; Me, methyl hydrogen; my, methylene. The symbol r is the correlation coefficient.
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0011124899
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note
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1. In cases where the X group contains a carbon atom attached to the methylene group, this is inconsistent with standard nomenclature but leads to an internal consistency within our analysis.
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This approximation is surely wrong in detail. Building up charge on one atom in the molecule comes at the expense of another, so the charge we should use to determine whether electron density will move to or from Z is the charge on the atoms A before the electron density moves. We believe this situation is pertinent in our interpretation of our results. See Section 6.
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50
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0011146586
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note
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That the AIM and the NPA method agree in this analysis seems strange, given the lack of correlation between the charges on the methylene hydrogen atoms in the two methods. The source of the agreement is a correlation between the charges over the set of X groups chosen for this comparison.
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