Infinite dilution activity coefficients from ab initio solvation calculations
Author:
Publisher
Wiley
Subject
General Chemical Engineering,Environmental Engineering,Biotechnology
Reference50 articles.
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4. Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model
5. A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
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