How to Cite

COSMO-RS

1)  A. Klamt, “Conductor-like screening model for real solvents: a new approach to the quantitative calculation of solvation phenomena,” The Journal of Physical Chemistry, vol. 99, no. 7, pp. 2224–2235, Feb. 1995.

2)  A. Klamt, V. Jonas, T. Bürger, and J. C. Lohrenz, “Refinement and parametrization of COSMO-RS,” The Journal of Physical Chemistry A, vol. 102, no. 26, pp. 5074–5085, 1998.

COSMOtherm

1)  COSMOtherm, <version> (e.g. C3.0, release 1601), COSMOlogic GmbH & Co KG, http://www.cosmologic.de

2)  F. Eckert and A. Klamt, “Fast solvent screening via quantum chemistry: COSMO-RS approach,” AIChE J., vol. 48, no. 2, pp. 369–385, 2002.

TURBOMOLE

TURBOMOLE <version> <year>, a development of University of Karlsruhe and
Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com

COSMOconf

COSMOconf, <version> (e.g. 4.0), COSMOlogic GmbH & Co KG, http://www.cosmologic.de

 

COSMOquick

1.  COSMOquick, <version>, COSMOlogic GmbH & Co KG, http://www.cosmologic.de

2.  Hornig, M. & Klamt, A. COSMOfrag: A Novel Tool for High-Throughput ADME Property
Prediction and Similarity Screening Based on Quantum Chemistry J Chem Inf Model, 2005,
45, 1169-1177.

3.  Loschen, C. & Klamt, A. COSMOquick: A Novel Interface for Fast σ-Profile Composition and Its
Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents, Ind. & Eng.
Chem. Res. 2012, 51, 14303.

Reproducibility for peer-reviewed publications

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