COSMO calculation

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Nomis

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Apr 4, 2022, 12:06:00 PM4/4/22
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Hi,

I was wondering if NWChem includes some kind of outlying charge correction when doing COSMO calculations? I could not find this information anywhere else.

Best regards,
Simon

Edoardo Aprà

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Aug 19, 2025, 9:05:04 PM8/19/25
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Sorry for the late reply.
The documentation for the related input option was missing until today.
Here is the link

Rafael Soares

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Nov 5, 2025, 7:14:04 PM11/5/25
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Hello,

About the outlying charge corrections, we have some recent improvements. More details can be found at https://pubs.acs.org/doi/10.1021/acs.jctc.5c01368
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