Introduction to Molecular Modelling: Part 6 (Calculating Free Energy of Activation)
<p>This is another part of the series of blogs about molecular modelling, mainly about the actual usage of the software, rather than the detailed theory. The QM calculations are done with GAMESS, and visualisation with wxMacMolPlt.</p>
<p>One of the main uses of quantum chemistry is to calculate the Gibbs free energy of activation(ΔG‡) of reactions. This is basically the difference in free energy between the reactant and transition state.</p>
<p><a href="https://medium.com/swlh/introduction-to-molecular-modelling-part-6-calculating-free-energy-of-activation-c862c2db7235"><strong>Click Here</strong></a></p>