On Tue, Apr 13, 2010, FyD wrote:
>
> - Why the three "F" do not have the same charge value ? My feeling is
> that these three F are chemically equivalent, so their charge value
> should be equivalenced.
>
> - Why the two methylene groups of the cyclopropane group are not
> chemically equivalent ? once again, my understanding is that the
> corresponding charge values should be equivalent.
These are AM1-BCC charges; with the algorithm in antechamber equivalent atoms
do not necessarily have the same charges.
....dac
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Received on Tue Apr 13 2010 - 05:30:04 PDT
