The COSMO and COSMO‐RS solvation models
Author:
Affiliation:
1. COSMOlogic GmbH & Co. KG, Leverkusen, Germany
2. Institute of Physical and Theoretical Chemistry, University of Regensburg, Regensburg, Germany
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.56
Reference43 articles.
1. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
2. StewartJJP MOPAC—a general molecular orbital program. Quantum Chemical Program Exchange (QCPE) 1993 No. 455.
3. Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory
4. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
5. Quantum Mechanical Continuum Solvation Models
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