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)
D. Markthaler, and N. Hansen. Dataset, (2021)Related to: D. Markthaler, N. Hansen, Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B. In: Data in Brief (2021), 107618. doi: 10.1016/j.dib.2021.107618.
D. Markthaler, H. Kraus, and N. Hansen. Dataset, (2022)Related to: D. Markthaler, H. Kraus, N. Hansen, Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. In: Journal of Computer-Aided Molecular Design (2022). doi: 10.1007/s10822-021-00439-w.
D. Markthaler, J. Zeman, J. Baz, J. Smiatek, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (47):
10674-10688(2017)
P. Neumann, R. Stierle, J. Groß, and et. al. dtec.bw-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg: Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr dtec.bw, 1, Helmut-Schmidt-Universität, Hamburg, (2022)
E. Sauer, and J. Groß. Dataset, (2021)Related to: Sauer, Elmar; Gross, Joachim (2019): Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory. In Langmuir. doi: 10.1021/acs.langmuir.9b02378.
J. Schilling, M. Lampe, J. Groß, and A. Bardow. ASME-ORC2015 - Proceedings of the 3rd International Seminar on ORC Power Systems, page 75; 1-10. Liège, University of Liège, (2015)
J. Smiatek, N. Hansen, and J. Kästner. Simulating enzyme reactivity : Computational methods in enzyme catalysis, 9, The Royal Society of Chemistry, Cambridge, (2017)
L. Smith, W. van Gunsteren, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 121 (29):
7055-7063(2017)