01 September 2021 0 3K Report

Hi.! I want to calculate EET to a molecule in vacumm and under an electric field in the x-axis of 0.05V.A-1. I have tried the following keywords:

#p td=nstates=10 cam-b3lyp 6-31g** Charge Field=x+10 Nosymm

and it has run, but i don't know if that is working well. Anyone have experience in this type of calculations?

More Micaela Sosa's questions See All
Similar questions and discussions