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#1 2018-06-21 06:14:55

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 131
Website

Using Multiwfn to calculate fragment charge of a molecule (Video)

This 45s video briefly illustrates how to use Multiwfn in conjunction with gview to easily calculate charge of a molecular fragment based on ADCH atomic charges. Multiwfn 3.6(dev) is used

https://youtu.be/xKvOLFbeGoc

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