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Replication data of Kästner group for: "Tethering chiral Rh diene complexes i... Dataset
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and files from the conformational sampling. Furthermore,... -
Replication data of B3 group for: "Tethering chiral Rh diene complexes inside... Dataset
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... -
Replication Data for: How Solid Surfaces Control Stability and Interactions o... Dataset
Original data (Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. -
Data for: Performance of two complementary machine-learned potentials in mode... Dataset
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the... -
Data for Surface Immobilized Cu-1,10-Phenanthroline Complexes with α-Aminopho... Dataset
The data set contains the NMR data of the new ligands and immobilized catalyst as well as examplary NMR spectra after the catalysis as used for the determination of the yield.... -
NGS data related to Dossmann et al.: Specific DNMT3C flanking sequence prefer... Dataset
Cloning and site-directed mutagenesis The gene of the catalytic, C-terminal domain of murine DNMT3C (amino acid residues 439-740 of P0DOY1) was obtained in E. coli codon... -
Replication Data for: A Practical and Robust Zwitterionic Cooperative Lewis A... Dataset
description of synthetic efforts, spectroscopic data of all new compounds, EPR data of catalysts and potential catalytic intermediates, Xray data of reaction products and... -
Electrocatalytic proton reduction: Metal based fused diporphyrins with proton... Dataset
This project deals with the use of metal-based fused diporphyrins as electrocatalysts for HER reduction. The objectives of the proposed work are as follows: Synthesis of metal... -
Data for: Thermodynamic properties on the homologous temperature scale from d... Dataset
Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in... -
Replication data of Lotsch group for: "Covalent Organic Framework Nanoplates ... Dataset
As covalent organic frameworks (COFs) are coming of age, the lack of effective approaches to achieve crystalline and centimeter-scale-homogeneous COF films remains a significant... -
Data from Bill group for "Imaging the Permeability and Passivation Susceptibi... Dataset
This dataset contains files in relation to the figures appearing in the journal article and supporting information. Experimental schemes, Confocal Laser Scanning Microscopy... -
Replication Data of Kästner group for: "Determination of Accessibility and Sp... Dataset
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and the conformational sampling. Furthermore, the... -
Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Co... Dataset
This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a... -
Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy... Dataset
All primary data files of measurements and processed data of the journal article mentioned under related publications from the Buchmeiser group can be found here. The data... -
Replication data of C4 group for: "Oxo-Bridged Zr dimers as well-defined mode... Dataset
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. The folders are named according to the nomenclature in... -
Scripts and Data for "A Generalized Grand-Reaction-Method for Modelling the E... Dataset
Simulation scripts, simulation data and plotting scripts for the paper "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a... -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical S... Dataset
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for bulk... -
Replication data for: "NO as a Reagent for Topochemical Framework Transformat... Dataset
This dataset contains all data from analytical measurements including FT-IR and UV-Vis spectra, raw XRD patterns, 1H, 13C and 15N solution and ssNMR spectra, Ar, CO2, and NO... -
Replication data of Lotsch group for: "Direct and Linker-Exchange Alcohol-Ass... Dataset
Covalent organic frameworks (COFs) are an extensively studied class of porous materials, which distinguish themselves from other porous polymers in their crystallinity and high... -
Replication data for: "Olefin Metathesis in Confinement: Towards Covalent Org... Dataset
Covalent organic frameworks (COFs) offer vast structural and chemical diversity enabling a wide and growing range of applications. While COFs are well-established as...
