| 1 |
COSMOperm: Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH Dependence
Schwobel JAH, Ebert A, Bittermann K, Huniar U, Goss KU, Klamt A
Journal of Physical Chemistry B, 124(16), 3343, 2020 |
| 2 |
Hyperbolic Pressure-Temperature Phase Diagram of the Zinc-Finger Protein apoKti11Detected by NMR Spectroscopy
Klamt A, Nagarathinam K, Tanabe M, Kumar A, Balbach J
Journal of Physical Chemistry B, 123(4), 792, 2019 |
| 3 |
Prediction of aliphatic and aromatic oil-water interfacial tension at temperatures > 100 degrees C using COSMO-RS
Andersson MP, Eckert E, Reinisch J, Klamt A
Fluid Phase Equilibria, 476, 25, 2018 |
| 4 |
Multi-criteria evaluation of several million working fluids for waste heat recovery by means of Organic Rankine Cycle in passenger cars and heavy-duty trucks
Preissinger M, Schwobel JAH, Klamt A, Bruggemann D
Applied Energy, 206, 887, 2017 |
| 5 |
High-Throughput Screening of Working Fluids for the Organic Rankine Cycle (ORC) Based on Conductor-like Screening Model for Realistic Solvation (COSMO-RS) and Thermodynamic Process Simulations
Schwobel JAH, Preissinger M, Bruggemann D, Klamt A
Industrial & Engineering Chemistry Research, 56(3), 788, 2017 |
| 6 |
COSMO-RS for aqueous solvation and interfaces
Klamt A
Fluid Phase Equilibria, 407, 152, 2016 |
| 7 |
Predicting Flash Points of Pure Compounds and Mixtures with COSMO-RS (vol 54, pg 12974, 2015)
Reinisch J, Klamt A
Industrial & Engineering Chemistry Research, 55(17), 5125, 2016 |
| 8 |
COSMO-RSC: Second-Order Quasi-Chemical Theory Recovering Local Surface Correlation Effects
Klamt A
Journal of Physical Chemistry A, 120(12), 2049, 2016 |
| 9 |
Predicting Flash Points of Pure Compounds and Mixtures with COSMO-RS
Reinischt J, Klamt A
Industrial & Engineering Chemistry Research, 54(51), 12974, 2015 |
| 10 |
Comment on "Phase Behavior of Ternary Mixtures of Water-Vanillin-Ethanol for Vanillin Extraction via Dissipative Particle Dynamics"
Koenig PH, Eike DM, Murch BP, Klamt A
Journal of Chemical and Engineering Data, 60(11), 3437, 2015 |
