Comparison of Electronic Structure Theories for Solvated Molecules: RISM-SCF versus PCM
Author:
Affiliation:
1. Department of Molecular Engineering, Kyoto University, Yoshida, Kyoto 606-8501, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0374758
Reference31 articles.
1. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
2. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
3. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
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