| Thermodynamic and Transport Properties Modeling of Deep Eutectic Solvents: A Review on gE-Models, Equations of State, and Molecular Dynamics A González de Castilla, JP Bittner, S Müller, S Jakobtorweihen, ... Journal of chemical & engineering data 65 (3), 943-967, 2019 | 70 | 2019 |
| Development of a COSMO‐RS based model for the calculation of phase equilibria in electrolyte systems T Gerlach, S Müller, I Smirnova AIChE journal 64 (1), 272-285, 2018 | 46 | 2018 |
| Artificial neural networks for quantitative online NMR spectroscopy S Kern, S Liehr, L Wander, M Bornemann-Pfeiffer, S Müller, M Maiwald, ... Analytical and bioanalytical chemistry 412, 4447-4459, 2020 | 38 | 2020 |
| Influence of inorganic salts on the phase equilibrium of Triton X-114 aqueous two-phase systems E Ritter, R Racheva, S Storm, S Müller, T Ingram, I Smirnova Journal of chemical & engineering data 61 (4), 1496-1501, 2016 | 38 | 2016 |
| Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model S Müller Journal of cheminformatics 11, 1-12, 2019 | 35 | 2019 |
| Prediction of solvation free energies of ionic solutes in neutral solvents LC Kröger, S Müller, I Smirnova, K Leonhard The Journal of Physical Chemistry A 124 (20), 4171-4181, 2020 | 23 | 2020 |
| Physicochemical characterization and simulation of the solid–liquid equilibrium phase diagram of terpene-based eutectic solvent systems MM Abdallah, S Müller, A González de Castilla, P Gurikov, AA Matias, ... Molecules 26 (6), 1801, 2021 | 22 | 2021 |
| Calculation of thermodynamic equilibria with the predictive electrolyte model COSMO-RS-ES: Improvements for low permittivity systems S Müller, AG de Castilla, C Taeschler, A Klein, I Smirnova Fluid phase equilibria 506, 112368, 2020 | 21 | 2020 |
| An open source COSMO-RS implementation and parameterization supporting the efficient implementation of multiple segment descriptors T Gerlach, S Müller, AG de Castilla, I Smirnova Fluid phase equilibria 560, 113472, 2022 | 19 | 2022 |
| Evaluation and refinement of the novel predictive electrolyte model COSMO-RS-ES based on solid-liquid equilibria of salts and Gibbs free energies of transfer of ions S Müller, AG de Castilla, C Taeschler, A Klein, I Smirnova Fluid phase equilibria 483, 165-174, 2019 | 19 | 2019 |
| Deep eutectic solvents for the enzymatic synthesis of sugar esters: a generalizable strategy? R Semproli, SN Chanquia, JP Bittner, S Müller, P Domínguez de María, ... ACS sustainable chemistry & engineering 11 (15), 5926-5936, 2023 | 12 | 2023 |
| Design of a green chemoenzymatic cascade for scalable synthesis of bio-based styrene alternatives P Petermeier, JP Bittner, S Müller, E Byström, S Kara Green chemistry 24 (18), 6889-6899, 2022 | 10 | 2022 |
| On the analogy between the restricted primitive model and capacitor circuits: Semi-empirical alternatives for over-and underscreening in the calculation of mean ionic activity … AG de Castilla, S Müller, I Smirnova Journal of molecular liquids 326, 115204, 2021 | 9 | 2021 |
| On the analogy between the restricted primitive model and capacitor circuits. Part II: A generalized Gibbs-Duhem consistent extension of the Pitzer-Debye-Hückel term with … AG de Castilla, S Müller, I Smirnova Journal of molecular liquids 360, 119398, 2022 | 8 | 2022 |
| Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems H Marques, AG de Castilla, S Müller, I Smirnova Fluid phase equilibria 569, 113765, 2023 | 5 | 2023 |
| Predicting the relative static permittivity: a group contribution method based on perturbation theory L Rueben, J Schilling, P Rehner, S Müller, T Esper, A Bardow, J Gross Journal of chemical & engineering data 69 (2), 414-426, 2023 | 1 | 2023 |
| Confidence-Interval and Uncertainty-Propagation Analysis of SAFT-type Equations of State PJ Walker, S Mueller, I Smirnova Journal of Chemical & Engineering Data, 2023 | 1 | 2023 |
| Dualistic Role of Alcohol in Micelle Formation and Structure from iSAFT Based Density Functional Theory and COSMOplex J Lu, A González de Castilla, S Müller, S Xi, WG Chapman Industrial & engineering chemistry research 62 (4), 1968-1983, 2023 | 1 | 2023 |
| Corrigendum to ‘On the analogy between the restricted primitive model and capacitor circuits: Semi-empirical alternatives for over-and underscreening in the calculation of mean … AG de Castilla, S Müller, I Smirnova Journal of Molecular Liquids 331, 115640, 2021 | 1 | 2021 |
| Application and Refinement of COSMO-RS-ES for calculating phase equilibria of electrolyte systems at high concentrations in mixed and non-aqueous solvents S Müller | 1 | 2020 |
Irina SmirnovaProfessorin für Thermische Verfahrenstechnik, Hamburg University of Technology (TUHH)在 tuhh.de 的电子邮件经过验证
