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Author Topic: Hirshfeld charges  (Read 3371 times)

Andreas Heyden

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Hirshfeld charges
« on: February 18, 2019, 12:51:17 AM »
Hello,

Is there any way to compute Hirshfeld charges with Turbomole? I would like to compare Hirshfeld charges with NPA charges.

Thanks,
Andreas
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uwe

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Re: Hirshfeld charges
« Reply #1 on: February 27, 2019, 08:21:44 PM »
Hi,

no, unfortunately, Hirshfeld charges are not available (date of this status: February 2019).

Sorry,

Uwe
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