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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
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Hirshfeld charges
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Topic: Hirshfeld charges (Read 3403 times)
Andreas Heyden
Newbie
Posts: 1
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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
Global Moderator
Hero Member
Posts: 560
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Re: Hirshfeld charges
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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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TURBOMOLE Users Forum
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TURBOMOLE Modules
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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
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Hirshfeld charges