Hello i am a researcher of the Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas of Argentina (INIFTA). I am interested in the implementation VRC-TST for the calculation of rate constants of radical recombination reactions. I ñs there any example of how can i implement this level of theory.
Thank you.
Hello i am a researcher of the Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas of Argentina (INIFTA). I am interested in the implementation VRC-TST for the calculation of rate constants of radical recombination reactions. I ñs there any example of how can i implement this level of theory.
Thank you.