Why Accurate Chemical Physics is Important to Nucleation

In order to appreciate the fidelity of computational chemical physics in the context of nucleafion rafe prediction, we must have (1) a consistent theoretical formalism for obfaining fhe rafe constants, (2) accurate interaction energetics, and 

Our calculations have shown that the global anharmonicities in the Helmholtz free energies for both pure water clusters [4] and aqueous ionic clusters [6,8,71] fundamental to nucleation are essential to include in the prediction of accurate equilibrium constants and free energies. For example, the size-dependent anharmonic chemical potentials of water clusters are wildly different from the RRHOA results underscoring the importance of configurations far removed from min- 

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