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#1 Re: Multiwfn and wavefunction analysis » sobEDA and Excited states » 2024-06-27 14:28:11

Thanks a lot for your answer professor, you are very kind, also I want to ask you if maybe are you thinking in doing the implementation of the Interacting Quantum Atoms (IQA) method ?? Best wishes

#2 Multiwfn and wavefunction analysis » sobEDA and Excited states » 2024-06-26 10:50:32

exlonk.gil
Replies: 3

Hi ! I hope this message finds you well,

I want to use sobEDA to analyse the intermolecular interaction between an excited molecule and its environment (taken as a supermolecule, maybe 5 molecules of solvent), can I use sobEDA to do this? Best wishes

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