| 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 |
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 |
| 3 |
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 |
| 4 |
Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology
Schwobel JAH, Koleva YK, Enoch SJ, Bajot F, Hewitt M, Madden JC, Roberts DW, Schutz TW, Cronin MTD
Chemical Reviews, 111(4), 2562, 2011 |
