Solvent effects, reaction coordinates, and reorganization energies on nucleophilic substitution reactions in aqueous solution
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Elsevier
Reference60 articles.
1. Solvents and Solvent Effects in Organic Chemistry;Reichardt,1990
2. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
3. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
4. Free energy calculations: a breakthrough for modeling organic chemistry in solution
5. Simulation of free energy relationships and dynamics of SN2 reactions in aqueous solution
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