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• 14:34, 4 August 2022 Admin talk contribs created page Ammm:chgcorr (Created page with "Corrections in free energy calculations when the simulation box/ligand has a net charge Pengyu Ren Hydration free energy HFE is the free energy of solute transfer from gas to solution. Experimentally only salt property can be determined reliably and single ion HFE requires additional procedure to decompose. Thus there has been a great deal of controversy on what is experimental HFE (see discussion in (1)). Experimental hydration free energy may contain two corrections...")