151 to 160 of 161 Results
Mar 29, 2021 - Institute of Thermodynamics and Thermal Process Engineering
Sauer, Elmar; Gross, Joachim, 2021, "Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'", https://doi.org/10.18419/DARUS-1643, DaRUS, V1
This dataset contains simulation results in ASCII format accompanying the mentioned publication. The filename is structured in the following kind: Number of the figure in which the data is shown, method of simulation (TMMC Transition Matrix Monte Carlo, DFT Density Functional Theory), adsorbate(s), temperature, poregeometry (cylindrical pore or sli... |
Mar 26, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Hauser, Philipp Manuel; van der Ende, Melita; Groos, Jonas; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael, 2021, "Data for "Cationic Tungsten Alkylidyne N‐Heterocyclic Carbene Complexes: Synthesis and Reactivity in Alkyne Metathesis"", https://doi.org/10.18419/DARUS-1679, DaRUS, V1
All primary data files and processed data of the journal article from Buchmeiser group. Productivities in alkyne metathesis reactions (Paper, Table 1) was examined via gas-chromatography / mass spectrometry analysis and can be found in the GC-MS data folder. Novel complexes were examined via NMR spectroscopy and the spectra can be found in NMR data... |
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... |
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. |
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... |
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... |
Dyballa, Michael, 2021, "Publication data for: "Potential of triphenylphosphine as solid-state NMR probe for studying the noble metal distribution on porous supports - data from Dyballa group"", https://doi.org/10.18419/DARUS-1333, DaRUS, V1
All primary data files and processed data of the journal article from Dyballa group. NMR files are uploaded as jcampdx data. |
Kraus, Hamzeh, 2021, "Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'", https://doi.org/10.18419/DARUS-1170, DaRUS, V1
This dataset contains Jupiter Notebooks and the necessary structure files needed for generating the pore systems discussed in the related publication. Additionally, high-resolution figures discussed in the paper are added. |
Dyballa, Michael, 2020, "Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization Data Dyballa", https://doi.org/10.18419/DARUS-1166, DaRUS, V1
Solid state NMR data for the immobilized catalyst. Primary data files and processed data of the journal article from the Dyballa group. |
Ziegler, Felix, 2020, "Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization Data Buchmeiser", https://doi.org/10.18419/DARUS-832, DaRUS, V1
This paper addresses the synthesis of macrocyclic molecules by a spatial confinement effect in SBA-15. Various aspects such as concentration dependence, substrate size and temperature dependence have been discussed. In the attached data you will find all NMR spectra of the performed reactions as well as the sorption measurements, ICP analyses, elem... |
