2.4. Thermodynamic parameters calculation
Thermodynamic parameters, such as change of
enthalpy(ΔHm), change of Gibbs free energy of stability
(ΔGr), change of heat capacity (ΔCp) and
melting temperature (Tm) were calculated by the SCooP
webserver, which is freely available
at http://babylone.ulb.ac.be/SCooP.