Computational Chemistry
Gibbs free energy change is a thermodynamic quantity that represents the maximum reversible work that can be performed by a system at constant temperature and pressure. It is a crucial concept in determining the spontaneity of chemical reactions and the stability of different states in molecular dynamics simulations, as it combines the effects of enthalpy and entropy. The Gibbs free energy change can indicate whether a reaction will occur spontaneously or if it requires external energy input to proceed.
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