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1456 Publications
2020 | Journal Article | LibreCat-ID: 25900 | 
Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight
A. Javed, T. Wagner, S. Wöhlbrandt, N. Stock, M. Tiemann, ChemPhysChem (2020) 605–609.
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A. Javed, T. Wagner, S. Wöhlbrandt, N. Stock, M. Tiemann, ChemPhysChem (2020) 605–609.
2020 | Journal Article | LibreCat-ID: 25902 |
Functional Nanoporous Materials
C. Weinberger, M. Tiemann, Nanomaterials (2020).
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C. Weinberger, M. Tiemann, Nanomaterials (2020).
2020 | Journal Article | LibreCat-ID: 43747 |
Realization of all-optical vortex switching in exciton-polariton condensates
T. Meier, X. Ma, B. Berger, M. Aßmann, R. Driben, C. Schneider, S. Höfling, S. Schumacher, Nature Communications 11 (2020) 897.
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T. Meier, X. Ma, B. Berger, M. Aßmann, R. Driben, C. Schneider, S. Höfling, S. Schumacher, Nature Communications 11 (2020) 897.
2020 | Conference Paper | LibreCat-ID: 42892
Long- and Short-Term Tensile Strength and Morphology of Joined Beta-Nucleated Polypropylene Parts
A. Wübbeke, V. Schöppner, A. Paul, M. Tiemann, L. Austermeier, M. Fitze, M. Chen, F. Jakob, H.-P. Heim, T. Wu, T. Niendorf, M.-L. Röhricht, M. Schmidt, in: SPE ANTEC 2020: The Virtual Edition 5 , 2020.
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A. Wübbeke, V. Schöppner, A. Paul, M. Tiemann, L. Austermeier, M. Fitze, M. Chen, F. Jakob, H.-P. Heim, T. Wu, T. Niendorf, M.-L. Röhricht, M. Schmidt, in: SPE ANTEC 2020: The Virtual Edition 5 , 2020.
2020 | Journal Article | LibreCat-ID: 24236
Selected Aspects for the Assessment of Laser Transmission Welding
V. Schöppner, A. Wübbeke, F. Schriegel, A. Paul, M. Tiemann, B. Geißler, M. Schmidt, A. Magnier, T. Niendorf, Joining Plastics (2020) 30–35.
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V. Schöppner, A. Wübbeke, F. Schriegel, A. Paul, M. Tiemann, B. Geißler, M. Schmidt, A. Magnier, T. Niendorf, Joining Plastics (2020) 30–35.
2020 | Journal Article | LibreCat-ID: 44995
Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond Scale
C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (16) (2020) 164110.
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| DOI
C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (16) (2020) 164110.
2020 | Journal Article | LibreCat-ID: 44997
Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions
M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler, Molecules 25 (15) (2020) 3539.
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M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler, Molecules 25 (15) (2020) 3539.
2020 | Journal Article | LibreCat-ID: 44998
Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water
J. Hunold, J. Eisermann, M. Brehm, D. Hinderberger, J. Phys. Chem. B 124 (39) (2020) 8601–8609.
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| DOI
J. Hunold, J. Eisermann, M. Brehm, D. Hinderberger, J. Phys. Chem. B 124 (39) (2020) 8601–8609.
2020 | Journal Article | LibreCat-ID: 44993
From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth
L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, W. Widdra, Nanoscale 12 (2020) 3834–3845.
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L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, W. Widdra, Nanoscale 12 (2020) 3834–3845.
2020 | Journal Article | LibreCat-ID: 44994
Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations
C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (11) (2020) 114114.
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| DOI
C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (11) (2020) 114114.
2020 | Journal Article | LibreCat-ID: 44999
Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence
M. Weiß, M. Brehm, Molecules 25 (24) (2020) 5861.
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| DOI
M. Weiß, M. Brehm, Molecules 25 (24) (2020) 5861.
2020 | Journal Article | LibreCat-ID: 44996
TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation
M. Brehm, M. Thomas, S. Gehrke, B. Kirchner, J. Chem. Phys. 152 (16) (2020) 164105.
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| DOI
M. Brehm, M. Thomas, S. Gehrke, B. Kirchner, J. Chem. Phys. 152 (16) (2020) 164105.
2020 | Journal Article | LibreCat-ID: 24100
Nano-architectural complexity of zinc oxide nanowall hollow microspheres and their structural properties
K. Engelkemeier, J. Lindner, J. Bürger, K. Vaupel, M. Hartmann, M. Tiemann, K.-P. Hoyer, M. Schaper, Nanotechnology 31 (2020) 095701.
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| DOI
K. Engelkemeier, J. Lindner, J. Bürger, K. Vaupel, M. Hartmann, M. Tiemann, K.-P. Hoyer, M. Schaper, Nanotechnology 31 (2020) 095701.
2020 | Journal Article | LibreCat-ID: 16277 |
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
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T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
2020 | Conference Paper | LibreCat-ID: 16898
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.
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M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.
2020 | Preprint | LibreCat-ID: 40994
Janus-type dual emission of a Cyclometalated Iron(III) complex
M. Bauer, J. Steube, A. Päpcke, O. Bokareva, T. Reuter, S. Demeshko, R. Schoch, S. Hohloch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner, (2020).
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M. Bauer, J. Steube, A. Päpcke, O. Bokareva, T. Reuter, S. Demeshko, R. Schoch, S. Hohloch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner, (2020).
2020 | Journal Article | LibreCat-ID: 12878 |
Accurate Sampling with Noisy Forces from Approximate Computing
V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
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V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
2020 | Journal Article | LibreCat-ID: 41025
Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition
N. Prinz, L. Schwensow, S. Strübbe, A. Jentys, M. Bauer, W. Kleist, M. Zobel, Nanoscale 12 (2020) 15800–15813.
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| DOI
N. Prinz, L. Schwensow, S. Strübbe, A. Jentys, M. Bauer, W. Kleist, M. Zobel, Nanoscale 12 (2020) 15800–15813.
2020 | Journal Article | LibreCat-ID: 62101
Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis
L. Longwitz, T. Werner, Angewandte Chemie 132 (2020) 2782–2785.
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L. Longwitz, T. Werner, Angewandte Chemie 132 (2020) 2782–2785.
2020 | Patent | LibreCat-ID: 62147
Novel processes for preparing cis-cedrandiol
T. Werner, V. Stefanow, A. Grandane, J. Panten, M. Eh, (2020).
LibreCat
T. Werner, V. Stefanow, A. Grandane, J. Panten, M. Eh, (2020).