Multiwfn forum

Dear Prof. Tian Lu

I intend to utilize the IBSIW values derived from IGMH analysis to investigate the parts of the catalyst that exhibit significant interaction with the substrate in a TS structure. Although I have successfully calculated these values, I am uncertain whether they can be employed to draw comparisons between different TS structures. Are these IBSIW values absolute or relative measures? For instance, can one assert that 'TS-(R) demonstrates a more substantial CH/O interaction (IBSIW=0.3) in contrast to TS-(S), which exhibits a relatively minimal CH/O interaction (IBSIW=0.2)'? Is it viable to make such a statement?

Thank you