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Re^4: How to calculate Gibbs-free energy, enthalpy and entropy change in firefly?

Leira Ruth A. F.
leiraruth@gmail.com


Hello everyone!

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


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