2009 |
6 | EE | Frank Eckert,
Ivo Leito,
Ivari Kaljurand,
Agnes Kütt,
Andreas Klamt,
Michael Diedenhofen:
Prediction of acidity in acetonitrile solution with COSMO-RS.
Journal of Computational Chemistry 30(5): 799-810 (2009) |
2006 |
5 | EE | Frank Eckert,
Andreas Klamt:
Accurate prediction of basicity in aqueous solution with COSMO-RS.
Journal of Computational Chemistry 27(1): 11-19 (2006) |
2002 |
4 | EE | Andreas M. Zissimos,
Michael H. Abraham,
Andreas Klamt,
Frank Eckert,
John Wood:
A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt.
Journal of Chemical Information and Computer Sciences 42(6): 1320-1331 (2002) |
3 | EE | Andreas Klamt,
Frank Eckert,
Martin Hornig,
Michael E. Beck,
Thorsten Bürger:
Prediction of aqueous solubility of drugs and pesticides with COSMO-RS.
Journal of Computational Chemistry 23(2): 275-281 (2002) |
2001 |
2 | EE | Andreas Klamt,
Frank Eckert,
Martin Hornig:
COSMO-RS: A novel view to physiological solvation and partition questions.
Journal of Computer-Aided Molecular Design 15(4): 355-365 (2001) |
1997 |
1 | EE | Frank Eckert,
Peter Pulay,
Hans-Joachim Werner:
Ab initio geometry optimization for large molecules.
Journal of Computational Chemistry 18(12): 1473-1483 (1997) |