Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
1330 Publications
2020 | Journal Article | LibreCat-ID: 44997
Brehm M, Radicke J, Pulst M, Shaabani F, Sebastiani D, Kressler J. Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions. Molecules. 2020;25 (15):3539. doi:10.3390/molecules25153539
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44998
Hunold J, Eisermann J, Brehm M, Hinderberger D. Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water. J Phys Chem B. 2020;124 (39):8601-8609. doi:10.1021/acs.jpcb.0c04863
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44993
Scarbath-Evers L, Hammer R, Golze D, Brehm M, Sebastiani D, Widdra W. From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth. Nanoscale. 2020;12:3834-3845. doi:10.1039/C9NR06592J
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44994
Dreßler C, Kabbe G, Brehm M, Sebastiani D. Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations. J Chem Phys. 2020;152 (11):114114. doi:10.1063/1.5140635
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44999
Weiß M, Brehm M. Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence. Molecules. 2020;25 (24):5861. doi:10.3390/molecules25245861
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44996
Brehm M, Thomas M, Gehrke S, Kirchner B. TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation. J Chem Phys. 2020;152 (16):164105. doi:10.1063/5.0005078
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 24100
Engelkemeier K, Lindner J, Bürger J, et al. Nano-architectural complexity of zinc oxide nanowall hollow microspheres and their structural properties. Nanotechnology. 2020;31:095701. doi:10.1088/1361-6528/ab55bc
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 16277 | 
Kühne T, Iannuzzi M, Ben MD, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19). doi:10.1063/5.0007045
LibreCat
| Files available
| DOI
| Download (ext.)
| arXiv
2020 | Conference Paper | LibreCat-ID: 16898
Lass M, Schade R, Kühne T, Plessl C. A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K. In: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC). IEEE Computer Society; 2020:1127-1140. doi:10.1109/SC41405.2020.00084
LibreCat
| DOI
| Download (ext.)
| arXiv
2020 | Preprint | LibreCat-ID: 40994
Bauer M, Steube J, Päpcke A, et al. Janus-type dual emission of a Cyclometalated Iron(III) complex. Published online 2020.
LibreCat
2020 | Journal Article | LibreCat-ID: 12878 |
Rengaraj V, Lass M, Plessl C, Kühne T. Accurate Sampling with Noisy Forces from Approximate Computing. Computation. 2020;8(2). doi:10.3390/computation8020039
LibreCat
| DOI
| Download (ext.)
| arXiv
2020 | Journal Article | LibreCat-ID: 41025
Prinz N, Schwensow L, Strübbe S, et al. Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition. Nanoscale. 2020;12(29):15800-15813. doi:10.1039/d0nr01750g
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 25303
Xue H, Zhang H, Fricke S, et al. Scalable and energy-efficient synthesis of CoxP for overall water splitting in alkaline media by high energy ball milling. Sustainable Energy & Fuels. Published online 2019:1723-1729. doi:10.1039/c9se00607a
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21364
Grauke R, Schepper R, Rabeah J, et al. Impact of Al Activators on Structure and Catalytic Performance of Cr Catalysts in Homogeneous Ethylene Oligomerization – A Multitechnique in situ/operando Study. ChemCatChem. 2019:1025-1035. doi:10.1002/cctc.201901441
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 23619
Beal RE, Hagström NZ, Barrier J, et al. Structural Origins of Light-Induced Phase Segregation in Organic-Inorganic Halide Perovskite Photovoltaic Materials. Matter. 2019;2:207-219. doi:10.1016/j.matt.2019.11.001
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 23620
Cao C, Shyam B, Wang J, Toney MF, Steinrück H-G. Shedding X-ray Light on the Interfacial Electrochemistry of Silicon Anodes for Li-Ion Batteries. Accounts of Chemical Research. 2019;52:2673-2683. doi:10.1021/acs.accounts.9b00233
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 23621
Huang T-Y, Larrain FA, Borca CH, et al. Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid. Chemistry of Materials. 2019;31:6677-6683. doi:10.1021/acs.chemmater.9b01069
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 23622
Cao C, Abate II, Sivonxay E, et al. Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries. Joule. 2019;3:762-781. doi:10.1016/j.joule.2018.12.013
LibreCat
| DOI
2019 | Conference Paper | LibreCat-ID: 23762
Schmitz L, Fechner S. Generierung von Schülerfragen in lebenweltlichen Kontexten. In: Maurer C, ed. Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Universität Regensburg: Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung Kiel 2018; 2019:225-228.
LibreCat
| Download (ext.)
2019 | Conference Paper | LibreCat-ID: 23763
Akman P, Fechner S. Die Wahrnehmung des Abstraktionsgrades von multiplen Repräsentationen. In: Maurer C, ed. Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018. Universität Regensburg; 2019:811-814.
LibreCat
| Download (ext.)