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Using Multiwfn and VMD to plot Hirshfeld surface to analyze intermolecular interaction in crystals
Автор: sobereva
Загружено: 2019-08-30
Просмотров: 5624
Описание:
This video illustrates how to use Multiwfn (http://sobereva.com/multiwfn) in conjunction with VMD to plot Hirshfeld surface map, which can vividly represent intermolecular interaction in crystal environment. Before plotting, you should manually extract a cluster of molecules from molecular crystal, the video • Extracting molecular cluster from .cif fil... illustrated how to easily realize this.
If you have any question about this video, please feel free to post message on Multiwfn forum: http://sobereva.com/wfnbbs
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