'Rigid water models' diaporamas de présentation

Solvation Models and 2. Combined QM / MM Methods

Solvation Models and 2. Combined QM / MM Methods. See review article on Solvation by Cramer and Truhlar: Chem. Rev . 99, 2161-2200 (1999). Part 1. Solvation Models. Some describe explicit solvent molecules Some treat solvent as a continuum Some are hybrids of the above two:

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