What software currently can be accessibly used to calculate collision cross section using the geometries obtained from DFT? In my case, Q-Chem is used for geometry optimization.
The goal is to compute cross-section which can be compared with CCS (collisional cross-section) obtained from Ion Mobility Mass Spectrometry experiments where gases like N2, Ar or He could be used. I found relevant papers in Organometallics and PCCP as examples of calculations of CCS.
I'm aware of iMos, but I haven't tested it yet. Is there any other software which is capable of performing this calculation?