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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
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QTAIM for periodic calculations
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Topic: QTAIM for periodic calculations (Read 3874 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!
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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
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QTAIM for periodic calculations