Leira Ruth A. F.
leiraruth@gmail.com
In relation to the calculation of relative Gibbs-free energy of activation in Firefly, do we only need to correct the electronic energy with the Gibbs-free energy correction found in the Thermochemistry part of the output? In other words, are the enthalpy and entropy corrections already included in the Gibbs-free energy correction?
Just for clarification if the calculation goes the same with Firefly,
Leira