T. Braun. Dataset, (2019)Related to: Braun, Thorsten: Rekonstruktion von Prüfungserfolgsbedingungen in der Technischen Thermodynamik mittels methodenintegrativem Design : Eine hochschuldidaktische Begleitforschung. Dissertation. University of Stuttgart, 2020 (expected year of publication).
B. Bursik, J. Eller, and J. Groß. Dataset, (2024)Related to: B. Bursik, J. Eller, J. Gross: Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. Journal of Physical Chemistry B, (2024). Accepted manuscript.
J. Eller, T. Matzerath, T. Westen, and J. Groß. Dataset, (2021)Related to: Eller, J., Matzerath, T., van Westen, T., & Gross, J. (2021). Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state. The Journal of chemical physics, 154(24), 244106. doi: 10.1063/5.0051201.
M. Fleck, D. Markthaler, B. Stankiewicz, and N. Hansen. Dataset, (2022)Related to: Markthaler, Daniel; Fleck, Maximilian; Stankiewicz, Bartosz; Hansen, Niels: Exploring the Effect of Enhanced Sampling on Protein Stability Prediction. Journal of Chemical Theory and Computation (2022). doi: 10.1021/acs.jctc.1c01012.
J. Gebhardt, C. Kleist, S. Jakobtorweihen, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 122 (5):
1608-1626(2018)
A. Hemmen, and J. Groß. The Journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 119 (35):
11695-11707(2015)
A. Hemmen, A. Panagiotopoulos, and J. Groß. The Journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 119 (23):
7087-7099(2015)
M. Hopp, J. Mele, and J. Groß. Industrial & engineering chemistry research, 58 (45):
20857(2019)Correction to: https://doi.org/10.1021/acs.iecr.8b02406.
C. Keßler, J. Eller, J. Groß, and N. Hansen. Dataset, (2021)Related to: Kessler, Christopher; Eller, Johannes; Gross, Joachim; Hansen, Niels: Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations. Microporous and Mesoporous Materials, 324 (2021), 111263. doi: 10.1016/j.micromeso.2021.111263.
C. Keßler, R. Schuldt, S. Emmerling, B. Lotsch, J. Kästner, J. Groß, and N. Hansen. Dataset, (2022)Related to: Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796. doi: 10.1016/j.micromeso.2022.111796.
T. Kobayashi, H. Kraus, N. Hansen, and M. Fyta. Dataset, (2021)Related to: Takeshi Kobayashi, Hamzeh Kraus, Niels Hansen and Maria Fyta, Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects, ChemCatChem 2021, 13, 739-746. doi: 10.1002/cctc.202001596.
H. Kraus, and N. Hansen. Software, (2022)Related to: Kraus, H. & Hansen, N. (2022): An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica. Adsorption. doi: 10.1007/s10450-022-00356-w.
H. Kraus, M. Högler, and N. Hansen. Software, (2023)Related to: Kraus, Hamzeh; Högler, Marc; Hansen, Niels (2023): Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models. In: Journal of Physical Chemistry C, 127, 14374-14388. doi: 10.1021/acs.jpcc.3c01974.
H. Kraus, and J. Rybka. Dataset, (2019)Related to: Ziegler, Felix; Teske, Johannes; Elser, Iris; Dyballa, Michael; Frey, Wolfgang; Kraus, Hamzeh; Hansen, Niels; Rybka, Julia; Tallarek, Ulrich; Buchmeiser, Michael R (2019): Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization. In: Journal of the American Chemical Society. doi: 10.1021/jacs.9b08776.
H. Kraus, J. Rybka, and N. Hansen. Dataset, (2022)Related to: Kraus H., Rybka J., Tallarek U., Hansen N. (2021) Computational Study of Confinement Effects in Molecular Heterogeneous Catalysis. In: Nagel W.E., Kröner D.H., Resch M.M. (eds) High Performance Computing in Science and Engineering '20. Springer, Cham. doi: 10.1007/978-3-030-80602-6_7.
I. Kreitmeir, S. Rapp, J. Groß, and E. Kröber. Ausgewählte Ergebnisse zur Qualitätsoptimierung der Lehre an der Universität Stuttgart, Universität Stuttgart, Stuttgart, (2015)
M. Lampe, P. Edel, J. Schilling, J. Groß, and A. Bardow. ASME-ORC2015 - Proceedings of the 3rd International Seminar on ORC Power Systems, page 76; 1-9. Liège, University of Liège, (2015)
M. Lampe, J. Groß, P. Colonna, and A. Bardow. 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering, 37, Amsterdam, Elsevier, (2015)
M. Lampe, M. Stavrou, J. Schilling, E. Sauer, J. Groß, and A. Bardow. Special Issue: Selected papers from the 8th International Symposium on the Foundations of Computer-Aided Process Design (FOCAPD 2014) : July 13-17, 2014, Cle Elum, Washington, USA, 81, page 278-287. Amsterdam, Elsevier, (2015)
O. Lötgering-Lin, M. Fischer, M. Hopp, and J. Groß. Advanced Materials for Engineering Applications, 57, 11, page 4095-4114. Washington, DC, American Chemical Society, (2018)