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1483 Publications
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.
LibreCat
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.
LibreCat
| 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.
LibreCat
| DOI
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.
LibreCat
| 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.
LibreCat
| DOI
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.
LibreCat
| 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.
LibreCat
| 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.
LibreCat
| 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.
LibreCat
| 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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| arXiv
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).
LibreCat
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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| arXiv
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.
LibreCat
| 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.
LibreCat
| DOI
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).
2020 | Journal Article | LibreCat-ID: 37956
Organische Chemie
J.N. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, J. Greb, T. Gulder, W. Hüttel, S. Kath‐Schorr, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle, A. Narine, J. Niemeyer, J. Paradies, R. Pfau, J. Pietruszka, N. Schaschke, M. Senge, B.F. Straub, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 68 (2020) 42–72.
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| DOI
J.N. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, J. Greb, T. Gulder, W. Hüttel, S. Kath‐Schorr, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle, A. Narine, J. Niemeyer, J. Paradies, R. Pfau, J. Pietruszka, N. Schaschke, M. Senge, B.F. Straub, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 68 (2020) 42–72.
2020 | Journal Article | LibreCat-ID: 62102
Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis
L. Longwitz, T. Werner, Angewandte Chemie International Edition 59 (2020) 2760–2763.
LibreCat
| DOI
L. Longwitz, T. Werner, Angewandte Chemie International Edition 59 (2020) 2760–2763.
2020 | Journal Article | LibreCat-ID: 37951
Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions
X. Liu, L. Longwitz, B. Spiegelberg, J. Tönjes, T. Beweries, T. Werner, ACS Catalysis 10 (2020) 13659–13667.
LibreCat
| DOI
X. Liu, L. Longwitz, B. Spiegelberg, J. Tönjes, T. Beweries, T. Werner, ACS Catalysis 10 (2020) 13659–13667.
2020 | Journal Article | LibreCat-ID: 37955
Catalytic Systems for the Synthesis of Biscarbonates and Their Impact on the Sequential Preparation of Non-Isocyanate Polyurethanes
C. Wulf, M. Reckers, A. Perechodjuk, T. Werner, ACS Sustainable Chemistry and Engineering 8 (2020) 1651–1658.
LibreCat
| DOI
C. Wulf, M. Reckers, A. Perechodjuk, T. Werner, ACS Sustainable Chemistry and Engineering 8 (2020) 1651–1658.