I would like to ask what is the proper way to use this Gaussian composite method for high-accurate energy calculation? i read about this method but i don´t know how to apply it.i want to calculated redox potential on quinones apllying nerst equation.
Mr. Quispe,
G3 and G4 are time-consuming methods. It is important to specify your molecular properties of interest in order to balance between computational time, cost and accuracy of the theoretical data. There are a lot of low-cost and highly accurate methods which provide highly reliable theoretical data and the employment of G4 or G3 does not improve so significantly the accuracy of the data obtained comparing with the experiment.
Bojidarka B. Ivanova thanks for your recommendation. but if i want to calculate thermodynamic parameters as enthalphy, entrophy or free energy and redox potential. what´s the best way to calculate them on gaussian 09?
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