TURBOMOLE Users Forum

Forum General => Miscellaneous => Topic started by: Wilberth Narvaez on February 17, 2016, 01:08:50 AM

Title: Freeh
Post by: Wilberth Narvaez on February 17, 2016, 01:08:50 AM

Hello,

Is the chemical potential printed by the freeh module the same as the standard Gibbs energy of formation?

Title: Re: Freeh
Post by: Arnim on February 17, 2016, 01:05:39 PM

No. It is the Gibbs free energy contribution of a molecules. It can be used e.g. to calculated the Gibbs free energy change of a reaction, if you have the energies and Gibbs free energy contributions of all the reactants and products.