Entries of Eckert, Frank on the publication server
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Number of items: 8.
2016
Klamt, Andreas, Eckert, Frank, Reinisch, Jens and Wichmann, Karin
(2016)
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set.
Journal of Computer-Aided Molecular Design 30 (11), pp. 959-967.
Fulltext not available.
2013
Klamt, Andreas 
, Reinisch, Jens, Eckert, Frank, Graton, J. and Le Questel, J.-Y.
(2013)
Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities.
Physical Chemistry Chemical Physics 15, pp. 7147-7154.
2012
Klamt, Andreas , Reinisch, Jens, Eckert, Frank, Hellweg, Arnim and Diedenhofen, Michael
(2012)
Polarization charge densities provide a predictive quantification of hydrogen bond energies.
Physical Chemistry, Chemical Physics (14), pp. 955-963.
2011
Reinisch, Jens, Klamt, Andreas , Eckert, Frank and Diedenhofen, Michael
(2011)
Prediction of the temperature dependence of a polyether–water mixture using COSMOtherm.
Fluid Phase Equilibria 310 (1-2), pp. 7-10.
Fulltext not available.
, Eckert, Frank and Diedenhofen, Michael
(2011)
Prediction of the temperature dependence of a polyether–water mixture using COSMOtherm.
Fluid Phase Equilibria 310 (1-2), pp. 7-10.
Fulltext not available.
2010
Eckert, Frank, Diedenhofen, Michael and Klamt, Andreas
(2010)
Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach.
Molecular Physics 108 (3-4), pp. 229-241.
Fulltext not available.
(2010)
Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach.
Molecular Physics 108 (3-4), pp. 229-241.
Fulltext not available.
2009
Eckert, Frank, Leito, Ivo, Kaljurand, Ivari , Kütt, Agnes, Klamt, Andreas and Diedenhofen, Michael
(2009)
Prediction of acidity in acetonitrile solution with COSMO‐RS.
Journal of Computational Chemistry 30 (5), pp. 799-810.
Fulltext not available.
, Kütt, Agnes, Klamt, Andreas and Diedenhofen, Michael
(2009)
Prediction of acidity in acetonitrile solution with COSMO‐RS.
Journal of Computational Chemistry 30 (5), pp. 799-810.
Fulltext not available.
Klamt, Andreas , Eckert, Frank and Diedenhofen, Michael
(2009)
Prediction of the Free Energy of Hydration of a Challenging Set of Pesticide-Like Compounds.
The Journal of Physical Chemistry B 113 (14), pp. 4508-4510.
Fulltext not available.
, Eckert, Frank and Diedenhofen, Michael
(2009)
Prediction of the Free Energy of Hydration of a Challenging Set of Pesticide-Like Compounds.
The Journal of Physical Chemistry B 113 (14), pp. 4508-4510.
Fulltext not available.
2008
MacDonald, Stuart M., Opallo, Marcin , Klamt, Andreas , Eckert, Frank and Marken, Frank
(2008)
Probing carboxylate Gibbs transfer energies via liquid|liquid transfer at triple phase boundary electrodes: ion-transfer voltammetry versus COSMO-RS predictions.
Physical Chemistry Chemical Physics 10 (26), p. 3925.
Fulltext not available.
, Klamt, Andreas , Eckert, Frank and Marken, Frank
(2008)
Probing carboxylate Gibbs transfer energies via liquid|liquid transfer at triple phase boundary electrodes: ion-transfer voltammetry versus COSMO-RS predictions.
Physical Chemistry Chemical Physics 10 (26), p. 3925.
Fulltext not available.