| 7:39:34 PM PDT - Tue, Apr 8th 2014 |
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Hi Lkbalhorn,
I am a bit confused as I am not sure what this calculation means. With C, H, and F atoms there is going to be some polarization of the molecules and that will create some inter molecule interaction. However, beyond that DFT does not really provide a sensible interaction potential for non-bonded molecules (except hydrogen bonding). So I am not sure what the molecules are supposed to do.
Huub
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