Refinement and Parametrization of COSMO-RS
Author:
Affiliation:
1. Bayer AG, IM-FA, Q18, D-51368 Leverkusen, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp980017s
Reference31 articles.
1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
2. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
3. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
4. A Universal Organic Solvation Model
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