11 to 20 of 135 Results
Dec 7, 2023 - HITS MBM
Riedmiller, Kai; Reiser, Patrick; Bobkova, Elizaveta; Maltsev, Kiril; Gryn’ova, Ganna; Friederich, Pascal; Gräter, Frauke, 2023, "Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins [data]", https://doi.org/10.11588/data/TGDD4Y, heiDATA, V2
Hydrogen atom transfer (HAT) reactions are important in many biological systems. As these reactions are hard to observe experimentally, it is of high interest to shed light on them using simulations. Here, we present a machine learning model based on graph neural networks for the... |
Feb 6, 2023 - Bunz Group
Maier, Steffen, 2023, "Substituted Cyclopentannulated Tetraazapentacenes [data]", https://doi.org/10.11588/data/AUTKBW, heiDATA, V1
Brominated pentannulated dihydrotetraazapentacenes were prepared by gold- or palladium-catalyzed 5-endo-dig cyclization of TIPS-ethynylated dihydrotetraazaacenes (TIPS = triisopropylsilyl). Post-functionalization was demonstrated by Sonogashira alkynylation and Rosenmund-von Brau... |
Harnisch, Sebastian; Lujic, Tijana; Potinius, Katharina, 2023, "Strategic Migration Policy - HD.SMP 1.0 [research data]", https://doi.org/10.11588/data/ZAS2YZ, heiDATA, V1
As part of the Strategic Migration Policy project, a dataset (HD.SMP 1.0) was developed that systematizes and codes bilateral migration agreements of the destination countries/regions of the European Union and its member states, Switzerland, Norway, the United States, Canada, New... |
Jun 7, 2023 - Biogeochemistry
Klintzsch, Thomas; Geisinger, Hannah; Wieland, Anna; Langer, Gerald; Nehrke, Gernot; Bizic, Mina; Greule, Markus; Lenhart, Katharina; Borsch, Christian; Schroll, Moritz; Keppler, Frank, 2023, "Stable Carbon Isotope Signature of Methane Released from Phytoplankton [Research Data]", https://doi.org/10.11588/data/YYLEKU, heiDATA, V1, UNF:6:CUTgXYoCIx59M/OKIgTRvQ== [fileUNF]
Aquatic ecosystems play an important role in global methane cycling and many field studies have reported methane supersaturation in the oxic surface mixed layer (SML) of the ocean and in the epilimnion of lakes. The origin of methane formed under oxic condition is hotly debated a... |
Paul, Debjit, 2023, "Source Code, Data and Additional Material for the Thesis: "Social Commonsense Reasoning with Structured Knowledge in Text"", https://doi.org/10.11588/data/C56QUV, heiDATA, V1
Understanding a social situation requires the ability to reason about the underlying emotions and behaviour of others. For example, when we read a personal story, we use our prior commonsense knowledge and social intelligence to infer the emotions, motives, and anticipate the act... |
Apr 18, 2023 - PhD related material - Faculty of Modern Languages
Lopez, Federico, 2023, "Source code and data for the PhD Thesis "Learning Neural Graph Representations in Non-Euclidean Geometries"", https://doi.org/10.11588/data/KOAMK4, heiDATA, V1
This dataset contains source code and data used in the PhD thesis "Learning Neural Graph Representations in Non-Euclidean Geometries". The dataset is split into four repositories: figet: Source code to run experiments for chapter 6 "Constructing and Exploiting Hierarchical Graphs... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Wagner, Philippe; Rominger, Frank; Gross, Jürgen H.; Mastalerz, Michael, 2023, "Solvent-Controlled Quadruple Catenation of Giant Chiral [8+12] Salicylimine Cubes Driven by Weak Hydrogen Bonding [Data]", https://doi.org/10.11588/data/TIYBD2, heiDATA, V1
A quadruply interlocked catenane has been formed from giant chiral [8+12] salicylimine cubes in a reaction that can be controlled by the reaction solvent. Single-crystal X-ray diffraction revealed hydrogen bonding to be a central driving force for the catenation. Furthermore, scr... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Holsten, Mattes; Elbert, Sven Michael; Rominger, Frank; Zhang, Wen-Shan; Schröder, Rasmus R.; Mastalerz, Michael, 2023, "Single Crystals of Insoluble Porous Salicylimine Cages [Data]", https://doi.org/10.11588/data/45FZRY, heiDATA, V1
Porous organic cages (POCs) are meanwhile an established class of porous materials. Most of them are soluble to a certain extend and thus processable in or from solution. However, a few of larger salicylimine cages were reported to be insoluble in any organic solvents and thus ch... |
Sep 28, 2023 - ElectronicVision(s)
Kaiser, Jakob; Stock, Raphael; Müller, Eric; Schemmel, Johannes; Schmitt, Sebastian, 2023, "Simulation-based Inference for Model Parameterization on Analog Neuromorphic Hardware [data]", https://doi.org/10.11588/data/AVFF2E, heiDATA, V1
This data is presented in the paper "Simulation-based Inference for Model Parameterization on Analog Neuromorphic Hardware". |
Oct 25, 2023 - Data Analysis and Modeling in Medicine
Marvin Kinz, 2023, "SimTool-SynBench", https://doi.org/10.11588/data/R9IKCF, heiDATA, V2
The SimTool is a toolset to simulate soft tissue deformation during resection surgery. The proposed toolset is an assimilation of 3D packages in Python and Unreal Engine 4 (UE4) with Nvidia Flex integration, which make it possible to adapt the dataset for more applications. The S... |
