1 to 8 of 8 Results
Jun 11, 2024 - Molecular Simulation
Hansen, Niels; Markthaler, Daniel, 2024, "Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis", https://doi.org/10.18419/darus-4135, DaRUS, V1
This data set contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and dou... |
May 23, 2024 - EXC IntCDC Research Project 1 'Functionally Graded Concrete Building System – Design, Optimisation, Digital Production and Reuse'
Strahm, Benedikt; Haufe, Carl; Blandini, Lucio, 2024, "Replication Data for: Investigations on the Fire Behavior of Functionally Graded Concrete Slabs with Mineral Hollow Spheres", https://doi.org/10.18419/darus-4194, DaRUS, V1, UNF:6:7AvEnASehos6SIL2Tgsufg== [fileUNF]
Addendum to the corresponding paper. The paper describes numerical and experimental investigations of cut-outs of functionally graded concrete slabs subjected to fire exposure in a small scale test furnace. The data set includes: experimental_results/ Temperature measurements aft... |
May 23, 2024 - Institute of Thermodynamics and Thermal Process Engineering
Fleck, Maximilian; Darouich, Samir; Hansen, Niels; Gross, Joachim, 2024, "Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols", https://doi.org/10.18419/darus-3824, DaRUS, V1
Supplementary material is provided for the Transferable Anisotropic Mie Potential Force Field for Alkanediols, including files for rerunning TURBOMOLE DFT calculations for 1,2-ethanediol and 1,3-propanediol. The dataset includes input files and results for the OCCO and OCCC torsi... |
May 21, 2024 - I-07: Grid refinement methods for the Navier-Stokes equations
Lipp, Melanie, 2024, "Data for: Capturing local details in fluid-flow simulations: options, challenges and applications using marker-and-cell schemes", https://doi.org/10.18419/darus-4183, DaRUS, V1, UNF:6:QcsEz1/bUSYNlCnGc1KRxw== [fileUNF]
This dataset contains the data in the journal paper "Capturing local details in fluid-flow simulations: options, challenges and applications using marker-and-cell schemes" of Melanie Lipp, Martin Schneider and Rainer Helmig. Particularly, Fig. 5a plots the absolute values of colu... |
May 15, 2024 - EXC IntCDC RP 3: Multi-Storey Wood Building System
Orozco, Luis; Krtschil, Anna; Skoury, Lior; Knippers, Jan; Menges, Achim, 2024, "Reinforcement Arrangement Data", https://doi.org/10.18419/darus-4181, DaRUS, V1
This repository contains three computational hollow timber slab reinforcement arrangement methods and their results when applied to a testing setup representing the architectural goals of the developed timber building system. The testing setup includes the floor plate boundaries,... |
Apr 9, 2024 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2024, "Replication data of B3 group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"", https://doi.org/10.18419/darus-3547, DaRUS, V1, UNF:6:N+XAY3GC5dJdwFA2n/4lEA== [fileUNF]
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR (nuclear magnetic resonance) spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the excel shee... |
Mar 28, 2024 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen; Weirich, Sara, 2024, "Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate", https://doi.org/10.18419/darus-3815, DaRUS, V1
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled structures of NSD2 bound to different peptides Source data of the results of the MD analysis MD simulati... |
Jan 10, 2024 - EXC IntCDC Research Project 1 'Functionally Graded Concrete Building System – Design, Optimisation, Digital Production and Reuse'
Strahm, Benedikt; Haufe, Carl; Blandini, Lucio, 2024, "Replication Data for: Investigations on the Shear Load-Bearing Behavior of Functionally Graded Concrete Beams with Mineral Hollow Spheres", https://doi.org/10.18419/darus-3875, DaRUS, V1
Addendum to the corresponding paper. The paper describes numerical and experimental investigations of functionally graded concrete beams subjected to three-point bending tests to determine their shear capacity. The data set includes: diagrams/ Values for the load-deformation curv... |