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Disambiguation of "Kraus, Hamzeh"

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Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'

, , and . 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.
DOI: 10.18419/darus-488

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Hamzeh Kraus University of Stuttgart

Dr. -Ing. Werner Kraus University of Stuttgart

Pia Krause University of Stuttgart

Dr. rer. pol. Thomas Krause University of Stuttgart

Kilian Krause University of Stuttgart

 

Other publications of authors with the same name

Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain, , and . Journal of Chemical Information and Modeling, 58 (11): 2305-2318 (2018)Supplementary material for 'Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects', , , and . 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.Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models', , and . 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.Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models, , and . The journal of physical chemistry. C, Energy, materials, and catalysis, 127 (29): 14374-14388 (2023)Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis', , and . 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.Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange', , and . 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.Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models, , and . The Journal of Physical Chemistry C, (July 2023)Binding free energies for the SAMPL8 CB8 “Drugs of Abuse” challenge from umbrella sampling combined with Hamiltonian replica exchange, , and . Journal of Computer-Aided Molecular Design, (January 2022)Atomistic simulation of fluid structure and diffusion in functionalized mesoporous silica. Universität Stuttgart, Stuttgart, Dissertation, (2023)Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization', and . 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.