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Chemical Sciences

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Supplementary data for Physical properties of ionomeric alginate films
Posted on 2023-06-05
Supplementary data for PhD thesis "Biopolymer nanocomposites: lessons from structure-property relationships"
Posted on 2023-06-05
Supplementary data for Physical properties of ionomeric alginate films
Posted on 2023-06-05
Datasets of dissertation Anne Benneker
Posted on 2017-12-18
Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Posted on 2024-03-28
Data for "Predicting and Probing the Local Temperature Rise Around Plasmonic Core–Shell Nanoparticles to Study Thermally Activated Processes"
Posted on 2024-05-31
Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Posted on 2024-03-28
Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Posted on 2024-03-28
Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Posted on 2024-03-28
Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Posted on 2024-03-28
Rubber & Elastomer Development for MArtian enviRonmental applicationS (RED 4 MARS)
Posted on 2023-05-25
WRR_RTM_Flopy
Posted on 2023-11-03
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-04-07
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-25
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-25
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2020-10-17
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-17
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2018-03-29
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-11
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-17
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-26
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2020-10-17
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-03-22
Catalyst Cascade Reactions in ‘One-Flow’ within a Compartmentalized, Green-Solvent ‘Digital Synthesis Machinery’ – End-to-End Green Process Design for Pharmaceuticals.
Posted on 2019-04-10
Catalyst Cascade Reactions in ‘One-Flow’ within a Compartmentalized, Green-Solvent ‘Digital Synthesis Machinery’ – End-to-End Green Process Design for Pharmaceuticals.
Posted on 2021-12-30
NCHEM-23112420B
Posted on 2024-08-22
Healable Reversible Underwater Adhesives
Posted on 2024-03-01
PhD data
Posted on 2023-05-04
Organochlorides Mediate Oxidation Reactions Induced by Low Dose Ionizing Radiation
Posted on 2024-10-17
PhD dissertation: Improving salt weathering resistance of hydraulic mortars with an encapsulated crystallisation inhibitor
Posted on 2024-09-17
Chicken bouillon
Posted on 2025-03-17

All datasets

Dataset of Jammed Deformable Hydrogel Suspensions (JDHS) - Rheology Measurements & Microscopy Images
Posted on 2025-01-28
Data underlying the chapter in thesis Ene redutases as versatile Biocatalysts titled Ene-reductase-catalysed reduction and oxidation reactions ***
Posted on 2025-01-16
Sample simulation files underlying the publication: "Finite-size effects of the excess entropy computed from integrating the radial distribution function"
Posted on 2025-03-18
Sample simulation files underlying the publication: "Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model"
Posted on 2025-03-20
Sample simulation files underlying the publication: "Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization"
Posted on 2025-03-20
Data underlying the PhD thesis: Temperature-chemistry-microstructure correlations for alkali-activated binders
Posted on 2025-01-27
Data underlying the publication: Phosphorylation-induced structural dynamics of SARS-CoV-2 nucleocapsid protein
Posted on 2024-11-08
Raw data of molecular analyses (SEM-EDX, ATR-FTIR, Raman, and GC-MS) of adhesive residues from Morín Cave (Spain)
Posted on 2025-03-10
Data underlying the chapter in thesis Ene redutases as versatile Biocatalysts titled Stereoselective allene reduction catalysed by ene reductases to synthesize β,γ-unsaturated carbonyl compounds
Posted on 2025-01-16
Dataset of Extracellular Macromolecule Cation Complexes - Rheology and Composition Data
Posted on 2025-01-28
Data underlying the publication: Role of the Coreactant on the Dual-Source Behavior of Lithium Hexamethyldisilazide for ALD Li-Containing Films
Posted on 2024-11-07
Data underlying the PhD thesis: Elevated Pressure Electrochemical CO2 Reduction
Posted on 2025-03-11
Data underlying the publication: Water content of ion-exchange membranes: Measurement technique and influence on the ion mobility
Posted on 2025-03-18
Data underlying the article: Reshapable Magnetic Particles for Morphology-Controlled Soft Systems
Posted on 2025-02-07
Data underlying the publication: Phosphorylation changes SARS-CoV-2 nucleocapsid protein's structural dynamics and its interaction with RNA
Posted on 2025-03-28
Data and code related to the manuscript "Morphological analysis of polydisperse nanoplatelets using SAXS"
Posted on 2024-03-18
Gas Chromatography-Mass Spectrometry Data used for "Identifying Palaeolithic birch tar production techniques: challenges from an experimental biomolecular approach"
Posted on 2023-09-08
Data underlying the chapter: Peroxygenase-promoted enzymatic cascades for the valorisation of fatty acids
Posted on 2023-05-22
Raw data of GC-MS analysis of Later Stone Age adhesives from Steenbokfontein Cave, Western Cape
Posted on 2024-06-14
Data underlying the publication: Stochastic electrical detection of single ion-gated semiconducting polymers
Posted on 2023-11-07
Data underlying the publication: Stochastic electrical detection of single ion-gated semiconducting polymers
Posted on 2023-11-08
Digital Soil Maps underlying the publication "high-resolution digital soil mapping of amorphous iron- and aluminium-(hydr)oxides to guide sustainable phosphorus and carbon management"
Posted on 2024-02-29
Gas Chromatography-Mass Spectrometry data of adhesives and adhesive ingredients used in Zambia and collected during ethnographic research
Posted on 2024-02-06
Raw data of GC-MS analysis of Later Stone Age adhesives from Steenbokfontein Cave, Western Cape
Posted on 2023-12-14
Data underlying the publication: Mirror, mirror on the wall which is the greenest of them all? A critical comparison of chemo- and biocatalytic oxyfunctionalisation reactions
Posted on 2023-09-27
Raw data of molecular analyses (SEM-EDX, ATR-FTIR, Raman, and GC-MS) of adhesive residues from Morín Cave (Spain)
Posted on 2024-03-18
Data underlying the publication: On the Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study
Posted on 2024-09-17
Supporting data: Reaction barriers at metal surfaces computed using the random phase approximation: Can we beat DFT in the generalized gradient approximation?
Posted on 2024-08-06
Dataset for "Deposition and Corrosion Performance of Phosphate-Polylactic Acid Composite Coatings on WE43 Magnesium Alloy"
Posted on 2024-01-31
Data underlying the publication: Enhancing trigger sensitivity of nanocarriers through organocatalytic oxidant activation
Posted on 2023-08-23
Data underlying the article: Numerical Model to Simulate Electrochemical Charging of Nanocrystal Films
Posted on 2023-09-19
Dataset for "Multisine impedimetric monitoring with an in-depth distribution of relaxation times analysis of WE43 and AZ31 magnesium alloys corrosion"
Posted on 2024-02-02
Experimental dataset for "Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelate"
Posted on 2023-12-11
Data underlying the publication: Non-invasive current collectors for improved current-density distribution during CO2 electrolysis on super-hydrophobic electrodes
Posted on 2024-03-28
Sample simulation files underlying the publication: Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property
Posted on 2023-08-24
Data underlying the article: A Water-free In Situ HF Treatment of InP Quantum Dots
Posted on 2023-10-10
Data underlying the publication: Mapping Spatial and Temporal Electrochemical Activity of Water and CO2 Electrolysis on Gas-Diffusion Electrodes Using Infrared Thermography
Posted on 2024-03-28
Data underlying the publication: Thermo-rheological and kinetic characterization and modeling of an epoxy vitrimer based on polyimine exchange
Posted on 2024-07-30
SEM image of gelatin-alginate hydrogels crosslinked by diepoxy polyethylene glycol (PEG DE 500). Data underlying the research project "Gelatin-alginate hydrogels for hard-to-heal wounds" (GAlHyd)
Posted on 2023-11-07
Data and code related to the manuscript "Towards a predictive understanding of direct ink writing of graphene-based inks"
Posted on 2023-10-30
Data underlying the study: Addition of iron does not ameliorate sulfide toxicity by sargassum influx to mangroves but dampens methane and nitrous oxide emissions
Posted on 2023-09-22
Data for XS grant - Innovative single-step approach to printable and flexible diamond sensors
Posted on 2024-01-17
Research data underlying the PhD thesis "Exploring the Feasibility of Electrochemical Ammonia Synthesis: From Lab-Scale to Production Plant"
Posted on 2024-05-28
Sharing High-Quality LC-MS/MS Spectral Data of over 100 Emerging Chemical Risks in the Food Chain
Posted on 2024-10-28
Data underlying the publication: Reaction network analysis of organochloride mediated oxidation induced by ionizing radiation
Posted on 2024-10-18
Supporting data: Reaction barriers at metal surfaces computed using the random phase approximation: Can we beat DFT in the generalized gradient approximation?
Posted on 2024-07-25
Dataset of Biopolymers - Viscosity / Consistency Index vs Concentration
Posted on 2024-09-18
DSC analisys of the raw material and hydrogels. Data underlying the research project "Gelatin-alginate hydrogels for hard-to-heal wounds" (GAlHyd)
Posted on 2023-11-08
Data underlying the publication: Enhancing trigger sensitivity of nanocarriers through organocatalytic oxidant activation
Posted on 2023-08-14
SEM image of gelatin-alginate hydrogels crosslinked by diepoxy polyethylene glycol (PEG DE 500). Data underlying the research project "Gelatin-alginate hydrogels for hard-to-heal wounds" (GAlHyd)
Posted on 2023-11-07
Dataset from "Promoting photocatalytic activity of NH2-MIL-125(Ti) for H2 evolution reaction through creation of TiIII and CoI based proton reduction sites".
Posted on 2023-11-07
Data and code related to the manuscript "Direct ink writing using graphene nanoplatelet based inks"
Posted on 2023-09-06
Thermogravimetric analysis (TGA) of the raw material and hydrogels. Data underlying the research project "Gelatin-alginate hydrogels for hard-to-heal wounds" (GAlHyd)
Posted on 2023-11-09
SEM/EDX analysis of the samples surface, together with information on chemical composition and the distribution of elements. Data underlying the research project "Gelatin-alginate hydrogels for hard-to-heal wounds" (GAlHyd)
Posted on 2023-11-15
IR-FTIR spectra of the raw material and films. Data underlying the research project "Gelatin-alginate hydrogels for hard-to-heal wounds" (GAlHyd)
Posted on 2023-11-13
Data underlying the publication: Organochloride mediated prodrug activation induced by ionizing radiation
Posted on 2024-10-18
Data underlying the publication: Unraveling the Photophysics of Liquid-Phase Exfoliated Two-Dimensional ReS₂ Nanoflakes
Posted on 2023-03-29
Data set for "Vapor sorption in binary polymer brushes: the effect of the polymer-polymer interface"
Posted on 2024-09-25
Data set for "Vapor sorption in binary polymer brushes: the effect of the polymer-polymer interface"
Posted on 2024-09-25
Data underlying the publication: Blocking mechanisms in area-selective ALD by small molecule inhibitors of different sizes: Steric shielding versus chemical passivation
Posted on 2024-05-02
Data underlying the publication: "Exploring the Programmability of Autocatalytic Chemical Reaction Networks"
Posted on 2024-09-05
Dataset pertaining to the paper "Tunable chitosan-alginate capsules for a controlled release of crystallisation inhibitors in mortars"
Posted on 2024-05-21
Thermal Videos of Freezing Front Propagation on Chemically Modified Glass Surfaces
Posted on 2024-08-21
Data for Chapter 4: Fast charge separation driven by relaxation of hot excited state
Posted on 2023-07-05
Data for Chapter 3: Excited state dynamics of acceptor–donor–acceptor systems based on BODIPY
Posted on 2023-07-04
Source code for: Assessing the Validity of a Calcifying Oral Biofilm Model as a Suitable Proxy for Dental Calculus
Posted on 2023-05-31
Data underlying the publication 'Interaction of Zn with ferrihydrite and its cooperative binding in the presence of PO4'
Posted on 2024-02-05
Data underlying the publication: Tires for Mars Rovers: Reinforcing BR and BR/Vinyl-Methyl Silicone Rubber Compounds with Carbon Black, Nano-CaCO3, or Silica for Good Low-Temperature Dynamic-Mechanical Performance
Posted on 2023-06-01
Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)"
Posted on 2023-09-22
Dataset accompanying "Revealing cellular (poly)sulphide storage in electrochemically active sulphide oxidising bacteria using rotating disc electrodes"
Posted on 2024-05-29
Data and code related to the publication: Printed Stretchable Graphene Conductors for Wearable Technology
Posted on 2023-11-06
Dataset underlying the publication: All-lignin polyelectrolyte multilayers as renewable and biodegradable nanofiltration membranes
Posted on 2023-11-22
Data underlying the publication: Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending
Posted on 2023-11-07
LAMMPS inputs for the publication "Enhanced vapor sorption in block and random copolymer brushes"
Posted on 2024-02-28
Data underlying the publication 'Solid-solution partitioning of micronutrients Zn, Cu and B'
Posted on 2024-02-05
Supplementary data: Assessing the Validity of a Calcifying Oral Biofilm Model as a Suitable Proxy For Dental Calculus
Posted on 2023-06-01
Data underlying the publication: "On-Demand Release of Secondary Amine Bases for the Activation of Catalysts and Crosslinkers"
Posted on 2023-10-26
Data underlying the publication: "Redox-Controlled Shunts in a Synthetic Chemical Reaction Cycle"
Posted on 2023-10-31
Data Underlying the Publication: Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains
Posted on 2023-09-29
Data underlying the publication 'Boron Adsorption to Ferrihydrite with Implications for Surface Speciation in Soils: Experiments and Modeling'
Posted on 2024-02-05
Data underlying the publication: Packing of inhibitor molecules during area-selective atomic layer deposition studied using random sequential adsorption simulations
Posted on 2023-08-07
Monte Carlo Simulation Code to Perform Simulations in the combined Reaction and Gibbs Ensemble
Posted on 2024-03-25
Complete dataset for the publication: MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and its Applications in Computational Catalysis
Posted on 2024-02-19
Data underlying the publication: Effects of the Structure and Temperature on the Nature of Excitons in the Mo₀.₆W₀.₄S₂ Alloy
Posted on 2023-03-29
Experimental data for probing the local temperature rise around plasmonic core–shell nanoparticles
Posted on 2024-05-31
Data underlying the publication: Computational Investigation of Precursor Blocking during Area-Selective Atomic Layer Deposition Using Aniline as a Small-Molecule Inhibitor
Posted on 2023-08-07
Data underlying the publication: Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement
Posted on 2024-03-28
Data underlying the publication: Blocking mechanisms in area-selective ALD by small molecule inhibitors of different sizes: Steric shielding versus chemical passivation
Posted on 2024-05-02
Data for the publication: Eliminating redox-mediated electron transfer mechanisms on supported molecular catalysts enables CO2 conversion to ethanol
Posted on 2024-09-10
Data underlying the publication: Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending
Posted on 2024-04-10
Data underlying the publication: A Closer Look at Lithium-Ion Batteries in E-waste and the Potential for a Universal Hydrometallurgical Recycling Process
Posted on 2024-07-29
Data underlying the publication: Water-triggered self-healing and reversible underwater adhesion in metalorganic polymers
Posted on 2024-07-19
Dataset from "Combining Nickel- and Zinc-Porphyrin Sites via Covalent Organic Frameworks for Electrochemical CO2 Reduction"
Posted on 2024-07-17
Mixed MAPbI_(3-x)Br_x database for force field training
Posted on 2023-09-21
Data underlying the publication: Healable Reversible Underwater Adhesives
Posted on 2024-03-07
Data underlying the publication: Revealing catalyst-substrate interactions in Rh-catalyzed hydrogenation with methyl 2-acetamido-acrylate and bidentate phosphine ligands
Posted on 2024-02-20
Data and code related to the manuscript "Morphological analysis of polydisperse nanoplatelets using SAXS"
Posted on 2023-11-08
Data underlying the publication: Probing Machine Learning Models Based on High-Throughput Experimentation Data for the Discovery of Asymmetric Hydrogenation Catalysts
Posted on 2024-07-18
Gas Chromatography-Mass Spectrometry data used to identify ancient aceramic birch tar production methods
Posted on 2023-10-23
Data underlying the publication: Revealing catalyst-substrate interactions in Rh-catalyzed hydrogenation with methyl 2-acetamido-acrylate and bidentate phosphine ligands
Posted on 2024-03-08