Hi All,

I am a DMol3 beginner and my main goal in using it is to extract activation energy and heat of reaction to use for my epoxy/amine crosslinking script. I plan to get these properties for reactions between DGEBA, TGDDM, 44DDS, 33DDS, and a few other sustainable epoxies. My question is, for these molecules and their reactions, what would be the best functional to use to get the properties I desire?

Thank you in advance!