The COSMO and COSMO‐RS solvation models-Reference-Cited by-同舟云学术

The COSMO and COSMO‐RS solvation models

Published:2017-09-28 Issue:1 Volume:8 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Klamt Andreas¹²

Affiliation:

1. COSMOlogic GmbH&CoKG 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.1338

Reference57 articles.

1. van der Waals Volumes and Radii

2. ClausenI. Experimentelle und theoretische Analyse der Anwendbarkeit von COSMO‐RS für Verteilungskoeffizienten. PhD Thesis Technical University of Berlin 2000.

3. A priori-Berechnung von Phasengleichgewichten für die thermische Verfahrenstechnik mit COSMO-RS

4. Validation of the Direct-COSMO-RS Solvent Model for Diels–Alder Reactions in Aqueous Solution

5. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

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