Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1Re: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

#2Multiwfn 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

Board footer

Powered byFluxBB

Baidu
map