Non-adiabatic bimolecular reaction dynamics

Hello everyone,

I am working on bimolecular reaction dynamics and am interested in studying non-adiabatic intersystem crossing (ISC) between singlet and triplet states.

I would like to know “Is on-the-fly non-adiabatic intersystem crossing (singlet–triplet) dynamics for bimolecular reactions possible in Q-Chem?”

What is available is described here:
https://manual.q-chem.com/latest/Ch7.S3.SS9.html
If you don’t have access to Q-Chem currently, you can always try something out using IQmol.