1 to 10 of 25 Results
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... |
Jan 29, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF
Grunenberg, Lars; Savasci, Gökcen; Emmerling, Sebastian; Heck, Fabian; Bette, Sebastian; Cima Bergesch, Afonso; Ochsenfeld, Christian; Lotsch, Bettina V., 2024, "Replication data of Lotsch group for: "Postsynthetic Transformation of Imine- into Nitrone-Linked Covalent Organic Frameworks for Atmospheric Water Harvesting at Decreased Humidity"", https://doi.org/10.18419/darus-3658, DaRUS, V1, UNF:6:6qLrfVdxi4dySJ6NPLMHUw== [fileUNF]
Herein, we report a facile postsynthetic linkage conversion method giving synthetic access to nitrone-linked covalent organic frameworks (COFs) from imine- and amine-linked COFs. The new two-dimensional (2D) nitrone-linked covalent organic frameworks, NO-PI-3-COF and NO-TTI-COF,... |
Dec 22, 2023 - SFB 1333 C6 - Holm group, ICP
Tischler, Ingo; Schlaich, Alexander; Holm, Christian, 2023, "Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"", https://doi.org/10.18419/darus-3642, DaRUS, V1
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text... |
Nov 15, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Panyam, Pradeep Kumar Reddy; Buchmeiser, Michael, 2023, "Replication Data for: Effect of liquid confinement on regioselectivity in the hydrosilylation of alkynes with cationic Rh(i) N-heterocyclic carbene catalysts", https://doi.org/10.18419/darus-3741, DaRUS, V1
All primary data files related to the publication. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect... |
Nov 10, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Ziegler, Felix; Bruckner, Johanna R.; Nowakowski, Michal; Bauer, Matthias; Probst, Patrick; Atwi, Boshra; Buchmeiser, Michael, 2023, "Replication data of the Buchmeiser Group for "Macrocyclization of Dienes Under Confinement With Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3702, DaRUS, V1
This dataset includes proton nuclear magnetic resonance data from catalytic investigations, scanning electron microscopy images of the ordered mesoporous silica particles, gas adsorption data for the determination of porous diameter, as well as x-ray absorption spectroscopic data... |
Oct 31, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2023, "Replication data of Kästner 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-3561, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and files from the conformational sampling. Furthermore, the spreadsheet with the collected data and the figures with the visualizations of the structures are l... |
Oct 19, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina; Kästner, Johannes, 2023, "Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"", https://doi.org/10.18419/darus-3668, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the i... |
Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng; Liu, Honglai; Schlaich, Alexander; Holm, Christian, 2023, "Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes", https://doi.org/10.18419/darus-3743, DaRUS, V1, UNF:6:KtlgApor9/WXUtTKp63TBw== [fileUNF]
This is the repository holding the data and python scripts we used for creating the corresponding figures in the publication. Tabular files include the ion and solvent (for solvent-explicit simulations) densiies for a hard-sphere primitive electrolyte model confined between two c... |
Oct 12, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Acikalin, Hande; Panyam, Pradeep Kumar Reddy; Shaikh, Wasif; Wang, Dongren; Kousik, Shravan R.; Atanasova, Petia; Buchmeiser, Michael, 2023, "Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity", https://doi.org/10.18419/darus-3733, DaRUS, V1
All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect... |
Oct 12, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Segreto, Nico; Kästner, Johannes, 2023, "Replication data of Kästner group for: "Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields"", https://doi.org/10.18419/darus-3693, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files. |
