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Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces Mar 25, 2021 - Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces Jaust, Alexander; Weishaupt, Kilian; Flemisch, Bernd; Schulte, Miriam, 2021, "Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces", https://doi.org/10.18419/DARUS-1644, DaRUS, V1 This repository contains simulation data used in https://doi.org/10.1007/978-3-030-43651-3_57 including the scripts for determining the errors presented in the publication. Additional results for Navier-Stokes flow has been added. Further information on the dataset, its structure and its scripts can be found in the included README.md file.
Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst Mar 25, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael; Kästner, Johannes, 2021, "Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst", https://doi.org/10.18419/DARUS-1714, DaRUS, V1 DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) catalyst with α,ω-dienes.The 1H NMR spectrum of the reaction between [Mo(N-2,6-Me2-C6H3)(CHCMe2Ph)(IMes)(OCH(CF3)2)+ B(ArF)4–] and 1,7-octadiene confirms the absence...
Replication Data for: On the Universality of the Double Descent Peak in Ridgeless Regression Mar 23, 2021 - PN 6-3 Holzmüller, David, 2021, "Replication Data for: On the Universality of the Double Descent Peak in Ridgeless Regression", https://doi.org/10.18419/DARUS-1771, DaRUS, V1 This dataset contains code used to generate the figures in the paper On the Universality of the Double Descent Peak in Ridgeless Regression, David Holzmüller, International Conference on Learning Representations 2021. The code is also provided on GitHub. Here, we additionally provide the data that is generated by the code and that is required to ge...
Publication data for: "Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors" Mar 23, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Hauser, Philipp Manuel; Musso, Janis; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors"", https://doi.org/10.18419/DARUS-1772, DaRUS, V1 All primary data files and processed data of the journal article from Buchmeiser group, in which cationic tungsten oxo NHC complexes are synthesized via hydrolysis of cationic alkylidyne NHC complexes. NMR data of all pure compounds and NMR experiments. Gc-MS data of Metathesis reactions and crystal data for all crystal structures.
Sample, Evaporation, and Crust Data of NaCl, MgSO4, and Na2SO4 solutions from F32 Quartz Sand Mar 22, 2021 - C05: Process-dependent porosity-permeability relations for fluid-solid reactions in porous media Piotrowski, Joseph; Huisman, Johan Alexander, 2021, "Sample, Evaporation, and Crust Data of NaCl, MgSO4, and Na2SO4 solutions from F32 Quartz Sand", https://doi.org/10.18419/DARUS-1642, DaRUS, V1, UNF:6:L1vcdYV8IHGNC1L+uLc2/A== [fileUNF] The data set contains one excel file for each salt type (NaCl, MgSO4, and Na2SO4) with data from evaporation experiments and additional sample analysis. Each file has six sheets: 1. Sample properties (i.e. dimensions, effective properties, weight,...) 2. Evaporation (i.e. mass loss of each sample determined over time, temperature, relative humidity...
Data Sets for 'A Molecular-Continuum Multiscale Solver for Liquid-Vapor Flow: Modeling and Numerical Simulation' Mar 19, 2021 - Subarea A3 Magiera, Jim, 2021, "Data Sets for 'A Molecular-Continuum Multiscale Solver for Liquid-Vapor Flow: Modeling and Numerical Simulation'", https://doi.org/10.18419/DARUS-1258, DaRUS, V1, UNF:6:Y8rX9qVCRjGzdo+3XFYlMg== [fileUNF] Data sets of the dissertation 'A Molecular-Continuum Multiscale Solver for Liquid-Vapor Flow: Modeling and Numerical Simulation', comprised of microscale particle simulation results for non-equilibrium liquid-vapor phase boundaries.
Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route Mar 19, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Benedikter, Mathis; Gebel, Paul; Elser, Iris; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route", https://doi.org/10.18419/DARUS-1670, DaRUS, V1 A general route to tungsten(VI) imido alkylidene bispyrrolide complexes via the extrusion of CO2 from the reaction of one equivalent of an aryl isocyanate with WOCl4 to form the corresponding imido complexes is reported. The Dataset contains the NMR spectra of figures S1 and S2 (zip-file 1 and 2) and NMR spectra of all compounds (zip-file 3). The d...
Numerical codes for solving the boundary layer problems and computing the boundary layer constants Mar 17, 2021 - A03: Development of interface concepts using averaging techniques Eggenweiler, Elissa, 2021, "Numerical codes for solving the boundary layer problems and computing the boundary layer constants", https://doi.org/10.18419/DARUS-1256, DaRUS, V1 Numerical codes (files ending with .edp) for the computation of the boundary layer constants staying in the generalised interface conditions from Eggenweiler & Rybak (2021). The software is meant to be executed using FreeFem++ (see http://www.freefem.org/). Results for the computed boundary layer constants for the two different types of porous medi...
Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group" Mar 12, 2021 - SFB 1333 C1 - Dyballa group, ITC Rieg, Carolin, 2021, "Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"", https://doi.org/10.18419/DARUS-1253, DaRUS, V1 Different phosphines (PR3, R= phenyl, 4-methoxyphenyl) are demonstrated to be useful probe molecules for the spatial location and quantification of noble metal (NM) atoms within mesoporous and microporous support materials, such as silica A200, mesoporous SBA-15, and different zeolites Y. For this purpose, the high NMR sensitivity of 31P nuclei (sp...
Ergebnisse und Rohdaten für die Kalibrierung der Fertigbarkeitsbewertung von Geometrien in Faserverbundbauweisen Mar 11, 2021 - Dennis Zink Zink, Dennis, 2021, "Ergebnisse und Rohdaten für die Kalibrierung der Fertigbarkeitsbewertung von Geometrien in Faserverbundbauweisen", https://doi.org/10.18419/DARUS-1157, DaRUS, V1, UNF:6:mKpFqHrtoWz+Y6jv9FLgXA== [fileUNF] Die hier vorgelegten Daten sind notwendig, um eine Methode für die Fertigbarkeitsbewertung von Geometrien in Faserverbundbauweisen zu kalibrieren und zu evaluieren. CAD Bauteile werden hierfür konstruiert (siehe Ordner Konstruktion_GenerischerKoerper & Konstruktion_ZusaetzlicheKoerper) sowie deren Geometrie analysiert und quantifiziert (siehe Ordne...

Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces

Mar 25, 2021 - Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces

Jaust, Alexander; Weishaupt, Kilian; Flemisch, Bernd; Schulte, Miriam, 2021, "Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces", https://doi.org/10.18419/DARUS-1644, DaRUS, V1

This repository contains simulation data used in https://doi.org/10.1007/978-3-030-43651-3_57 including the scripts for determining the errors presented in the publication. Additional results for Navier-Stokes flow has been added. Further information on the dataset, its structure and its scripts can be found in the included README.md file.

Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst

Mar 25, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael; Kästner, Johannes, 2021, "Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst", https://doi.org/10.18419/DARUS-1714, DaRUS, V1

DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) catalyst with α,ω-dienes.The 1H NMR spectrum of the reaction between [Mo(N-2,6-Me2-C6H3)(CHCMe2Ph)(IMes)(OCH(CF3)2)+ B(ArF)4–] and 1,7-octadiene confirms the absence...

Replication Data for: On the Universality of the Double Descent Peak in Ridgeless Regression

Mar 23, 2021 - PN 6-3

Holzmüller, David, 2021, "Replication Data for: On the Universality of the Double Descent Peak in Ridgeless Regression", https://doi.org/10.18419/DARUS-1771, DaRUS, V1

This dataset contains code used to generate the figures in the paper On the Universality of the Double Descent Peak in Ridgeless Regression, David Holzmüller, International Conference on Learning Representations 2021. The code is also provided on GitHub. Here, we additionally provide the data that is generated by the code and that is required to ge...

Publication data for: "Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors"

Mar 23, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Hauser, Philipp Manuel; Musso, Janis; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors"", https://doi.org/10.18419/DARUS-1772, DaRUS, V1

All primary data files and processed data of the journal article from Buchmeiser group, in which cationic tungsten oxo NHC complexes are synthesized via hydrolysis of cationic alkylidyne NHC complexes. NMR data of all pure compounds and NMR experiments. Gc-MS data of Metathesis reactions and crystal data for all crystal structures.

Sample, Evaporation, and Crust Data of NaCl, MgSO4, and Na2SO4 solutions from F32 Quartz Sand

Mar 22, 2021 - C05: Process-dependent porosity-permeability relations for fluid-solid reactions in porous media

Piotrowski, Joseph; Huisman, Johan Alexander, 2021, "Sample, Evaporation, and Crust Data of NaCl, MgSO4, and Na2SO4 solutions from F32 Quartz Sand", https://doi.org/10.18419/DARUS-1642, DaRUS, V1, UNF:6:L1vcdYV8IHGNC1L+uLc2/A== [fileUNF]

The data set contains one excel file for each salt type (NaCl, MgSO4, and Na2SO4) with data from evaporation experiments and additional sample analysis. Each file has six sheets: 1. Sample properties (i.e. dimensions, effective properties, weight,...) 2. Evaporation (i.e. mass loss of each sample determined over time, temperature, relative humidity...

Data Sets for 'A Molecular-Continuum Multiscale Solver for Liquid-Vapor Flow: Modeling and Numerical Simulation'

Mar 19, 2021 - Subarea A3

Magiera, Jim, 2021, "Data Sets for 'A Molecular-Continuum Multiscale Solver for Liquid-Vapor Flow: Modeling and Numerical Simulation'", https://doi.org/10.18419/DARUS-1258, DaRUS, V1, UNF:6:Y8rX9qVCRjGzdo+3XFYlMg== [fileUNF]

Data sets of the dissertation 'A Molecular-Continuum Multiscale Solver for Liquid-Vapor Flow: Modeling and Numerical Simulation', comprised of microscale particle simulation results for non-equilibrium liquid-vapor phase boundaries.

Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route

Mar 19, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Benedikter, Mathis; Gebel, Paul; Elser, Iris; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route", https://doi.org/10.18419/DARUS-1670, DaRUS, V1

A general route to tungsten(VI) imido alkylidene bispyrrolide complexes via the extrusion of CO2 from the reaction of one equivalent of an aryl isocyanate with WOCl4 to form the corresponding imido complexes is reported. The Dataset contains the NMR spectra of figures S1 and S2 (zip-file 1 and 2) and NMR spectra of all compounds (zip-file 3). The d...

Numerical codes for solving the boundary layer problems and computing the boundary layer constants

Mar 17, 2021 - A03: Development of interface concepts using averaging techniques

Eggenweiler, Elissa, 2021, "Numerical codes for solving the boundary layer problems and computing the boundary layer constants", https://doi.org/10.18419/DARUS-1256, DaRUS, V1

Numerical codes (files ending with .edp) for the computation of the boundary layer constants staying in the generalised interface conditions from Eggenweiler & Rybak (2021). The software is meant to be executed using FreeFem++ (see http://www.freefem.org/). Results for the computed boundary layer constants for the two different types of porous medi...

Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"

Mar 12, 2021 - SFB 1333 C1 - Dyballa group, ITC

Rieg, Carolin, 2021, "Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"", https://doi.org/10.18419/DARUS-1253, DaRUS, V1

Different phosphines (PR3, R= phenyl, 4-methoxyphenyl) are demonstrated to be useful probe molecules for the spatial location and quantification of noble metal (NM) atoms within mesoporous and microporous support materials, such as silica A200, mesoporous SBA-15, and different zeolites Y. For this purpose, the high NMR sensitivity of 31P nuclei (sp...

Ergebnisse und Rohdaten für die Kalibrierung der Fertigbarkeitsbewertung von Geometrien in Faserverbundbauweisen

Mar 11, 2021 - Dennis Zink

Zink, Dennis, 2021, "Ergebnisse und Rohdaten für die Kalibrierung der Fertigbarkeitsbewertung von Geometrien in Faserverbundbauweisen", https://doi.org/10.18419/DARUS-1157, DaRUS, V1, UNF:6:mKpFqHrtoWz+Y6jv9FLgXA== [fileUNF]

Die hier vorgelegten Daten sind notwendig, um eine Methode für die Fertigbarkeitsbewertung von Geometrien in Faserverbundbauweisen zu kalibrieren und zu evaluieren. CAD Bauteile werden hierfür konstruiert (siehe Ordner Konstruktion_GenerischerKoerper & Konstruktion_ZusaetzlicheKoerper) sowie deren Geometrie analysiert und quantifiziert (siehe Ordne...

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