Author Topic: QTAIM for periodic calculations  (Read 136 times)

max_sam

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QTAIM for periodic calculations
« on: December 02, 2021, 04:59:06 PM »
Good day! I have a question:
In the case of periodic calculations is it possible to perform QTAIM analysis for intermolecular interactions? (Default one works only for intramolecular)

Thanks in advance!