Chemical Sciences

Top datasets

Dataset
 
 
 
 
 
 
 
 
 

Latest datasets

Collections

EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-03-22
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 2020-10-17
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 2018-03-29
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 2021-04-07
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 2021-02-17
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 2021-02-25
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
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
Datasets of dissertation Anne Benneker
Posted on 2017-12-18

All datasets

G-code generation Python script
Posted on 2022-05-25
Videos – CFD-DEM simulations: fluidisation of calcite-pellets in water
Posted on 2021-01-29
Previously unpublished water adsorption isotherm data related to the publication: Confined water cluster formation in water harvesting by metal organic frameworks: CAU-10-H versus CAU-10-CH₃
Posted on 2023-02-13
Dataset Cyclic Voltammetry is invasive on microbial electrosynthesis
Posted on 2021-12-08
Data underlying the publication: Phytophthora pathogens exploit slicing action for host invasion
Posted on 2021-03-22
Data underlying the publication: Phytophthora pathogens exploit slicing action for host invasion
Posted on 2021-03-17
Dataset underlying the research of: a submerged cylindrical object in a liquid-solid fluidised bed - measuring local voidage and profile using a hydraulic weighing technique
Posted on 2021-03-12
Data from the paper An actin mechanostat ensures hyphal tip sharpness in Phytophthora infestans to facilitate host entry.
Posted on 2022-04-04
Data underlying the publication: Fast bioluminescent nucleic acid detection using one-pot isothermal amplification and dCas9-based split luciferase complementation
Posted on 2022-11-25
Videos: terminal settling experiments in water: path instabilities
Posted on 2020-06-25
Data underlying the article: Pan-cancer in silico analysis of somatic mutations in G-protein coupled receptors: The effect of evolutionary conservation and natural variance
Posted on 2021-10-26
Data underlying the publication: Solvent-mediated outer-sphere CO2 electro-reduction mechanism over Ag111 surface
Posted on 2022-03-03
Data for "Self-assembly of colloidal superballs under spherical confinement of a drying droplet"
Posted on 2022-02-08
Data relating to Fuel-Driven Macromolecular Coacervation in Complex Coacervate Core Micelles
Posted on 2022-04-04
Data underlying the paper: Gamma radiation induced contraction of alkyne modified polymer hydrogels
Posted on 2021-11-02
Data underlying the research of: E-selective Semi-hydrogenation of Alkynes by a Diruthenium Hydride Complex
Posted on 2022-06-09
Data underlying the publication: Advanced ceramics in radical filtration: TiO2 layer thickness effect on the photocatalytic membrane performance
Posted on 2023-02-13
Dataset for Basic Promotors Impact Thermodynamics and Catalyst Speciation in Homogeneous Carbonyl Hydrogenation
Posted on 2022-04-29
Zeta potential data for platinum and gold electrodes and glass.
Posted on 2021-09-07
Proteochemometric modeling identifies chemically diverse norepinephrine transporter inhibitors - Protocol Files
Posted on 2022-04-20
Proteochemometric modeling identifies chemically diverse norepinephrine transporter inhibitors - Protocol Files
Posted on 2022-09-12
Data for "Structure-Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study"
Posted on 2022-10-27
Data for "Structure-Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study"
Posted on 2022-10-27
Experimental Data: Effluent pH correlates with electrochemical nitrogen recovery efficiency at pilot scale operation
Posted on 2022-11-17
Experimental data: characterization of organic micropollutants behavior during electrochemical ammonia recovery
Posted on 2023-03-17
Experimental data ammonium recovery from digested blackwater using electrodialysis in combination with Donnan dialysis
Posted on 2021-02-20
Papyrus - A large scale curated dataset aimed at bioactivity predictions
Posted on 2021-10-29
Papyrus - A large scale curated dataset aimed at bioactivity predictions
Posted on 2022-04-04
Papyrus - A large scale curated dataset aimed at bioactivity predictions
Posted on 2021-11-01
Experimental data linked to the publication: Effect of Particle Wettability and Particle Concentration on the Enzymatic Dehydration of n‐Octanaloxime in Pickering Emulsions
Posted on 2021-12-30
Data underlying the paper: Thioanisole Ester Based Logic Gate Cascade to Control ROS-triggered Micellar Degradation
Posted on 2022-04-12
Data underlying the research of: Persistence of a Ru3(µ-CO)3(CO)5 cluster bound to a PNNP ‘expanded pincer’ ligand in different protonation states
Posted on 2022-03-01
Data underlying the publication: Photocatalytic ceramic membrane: Effect of the illumination intensity and distribution
Posted on 2022-12-06
Data underlying the research of: Combining Metal-Metal Cooperativity, Metal-Ligand Cooperativity and Chemical Non-Innocence in Diiron Carbonyl Complexes
Posted on 2021-09-30
Data for "Shape and Interaction Decoupling for Colloidal Pre-Assembly"
Posted on 2022-02-17
Data underlying the research of: Quantification of the steric properties of 1,8-naphthyridine based ligands in dinuclear complexes
Posted on 2022-09-05
Data underlying the publication: Confined water cluster formation in water harvesting by metal organic frameworks: CAU-10-H versus CAU-10-CH₃
Posted on 2023-02-02
Data underlying the publication "From Structure to Function: Understanding Synthetic Conditions in Relation to Magnetic Properties of Hybrid Pd/Fe-oxide Nanoparticles"
Posted on 2022-10-19
Data underlying the research of: A Well-Defined Anionic Dicopper(I) Monohydride Complex that Reacts like a Cluster
Posted on 2022-02-11
Data underlying the publication: Effects of the Water Matrix on the Degradation of Micropollutants by a Photocatalytic Ceramic Membrane
Posted on 2022-10-18
Mixed MAPbI_(3-x)Br_x database for force field training
Posted on 2023-01-16
Data underlying the publication: Interfacial elasticity of colloid monolayers probed by high-frequency bubble dynamics in ultrasound
Posted on 2022-10-25
Data underlying the publication: Photoexcitation of PbS nanosheets leads to highly mobile charge carriers and stable excitons
Posted on 2022-02-08
Dataset for Switching Between Hydrogenation and Olefin Transposition Catalysis via Silencing NH Cooperativity in Mn(I) pincer complexes
Posted on 2022-08-23
Data underlying the publication: Observation of the quantized motion of excitons in CdSe nanoplatelets
Posted on 2022-02-10
Data underlying the publication: Switching in Nanoscale Molecular Junctions due to Contact Reconfiguration
Posted on 2022-10-26
Data underlying the publication: Switching in Nanoscale Molecular Junctions due to Contact Reconfiguration
Posted on 2023-03-15
Data underlying the dissertation: Complexity of Electron Transport in Nanoscale Molecular Junctions
Posted on 2023-02-24
Data underlying the dissertation: Complexity of Electron Transport in Nanoscale Molecular Junctions
Posted on 2023-03-15
Data underlying the publication: Concentration-dependent effects of nickel doping on activated carbon biocathodes
Posted on 2022-03-14
Data for "Emergence of Coupled Rotor Dynamics in Metal−Organic Frameworks via Tuned Steric Interactions"
Posted on 2021-08-12
Raw data for "Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation"
Posted on 2022-03-22
Data underlying the publication: "Zwitterionic Dendrimer – Polymer Hybrid Copolymers for Self-Assembling Antifouling Coatings"
Posted on 2021-06-14
Data underlying the publication: Reactor microbiome enriches vegetable oil with n-caproate and n-caprylate for potential functionalized feed additive production via extractive lactate-based chain elongation
Posted on 2022-01-11
Experimental data: direct air capture using electrochemically regenerated anion exchange resins
Posted on 2022-05-11
Sample simulation files for "Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study"
Posted on 2023-03-08
Data underlying the publication: Anion exchange membranes with twisted poly(terphenylene) backbone: Effect of the N-cyclic cations
Posted on 2021-11-18
Dataset for the article: Mechanochemistry of Spiropyran Under Internal Stresses of a Glassy Polymer
Posted on 2023-01-25
Dataset from "Impact of Flow-Induced Disturbances During Synthesis on the Photophysical Properties of Naphthalene Diimide Covalent Organic Frameworks"
Posted on 2022-07-21
Dataset for "Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite"
Posted on 2022-04-13
Data underlying the publication: Designing a selective n-caproate adsorption-recovery process with granular activated carbon and screening of conductive materials in chain elongation
Posted on 2022-01-11
Sample simulation files for "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions"
Posted on 2023-02-01
Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors
Posted on 2020-10-13
Chemical profiling of fingerprints - Mass spectrometry data
Posted on 2022-01-31
Experimental Data: Effluent pH correlates with electrochemical nitrogen recovery efficiency at pilot scale operation
Posted on 2022-08-22
Experimental data: characterization of organic micropollutants behavior during electrochemical ammonia recovery
Posted on 2021-06-16
Supplementary data for the paper: Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow
Posted on 2020-07-22
Supplementary data for the paper: Visible‐Light‐Promoted Iron‐Catalyzed C(sp²)–C(sp³) Kumada Cross‐Coupling in Flow
Posted on 2020-07-22
Supplementary data for the paper: Optimization of a decatungstate-catalyzed C(sp³)-H alkylation using a continuous oscillatory milli-structured photoreactor
Posted on 2020-07-22
Supplementary data for the paper: Photocatalytic deaminative benzylation and alkylation of tetrahydroisoquinolines with N-alkylpyrydinium salts
Posted on 2020-07-22
Experimental data ammonium recovery from digested blackwater using electrodialysis in combination with Donnan dialysis
Posted on 2021-02-19
Data underlying the paper: Temporally programmed polymer-solvent interactions using a chemical reaction network
Posted on 2022-09-26
Supplementary material for the research on : Efficiency of thermally activated eggshells for acid mine drainage treatment in cold climate
Posted on 2021-11-24
Experimental data: direct air capture using electrochemically regenerated anion exchange resins
Posted on 2022-03-09
Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors
Posted on 2020-09-28
Data underlying the article: A geometrical method for quantifying mixing fractions in three-component groundwater mixing: experimental evidence from Ferrarelle aquifers
Posted on 2021-03-16
Data underlying the article: A geometrical method for quantifying endmembers' fractions in three‐component groundwater mixing
Posted on 2021-10-20
Virtual Lab: Fluidisation Experiments
Posted on 2020-08-28
Videos - Up-flow filtration velocities for rapid sand filter grains 0.8-1.25 mm in water
Posted on 2020-12-07
Videos - Up-flow filtration velocities for rapid sand filter grains 0.8-1.25 mm in water
Posted on 2021-01-29
Videos - Up-flow filtration velocities for rapid sand filter grains 0.8-1.25 mm in water
Posted on 2021-01-29
Supporting information for the publication: Demographic assessment of mono(2-ethylhexyl) phthalate (MEHP) and monoethyl phthalate (MEP) concentrations in common bottlenose dolphins (Tursiops truncatus) from Sarasota Bay, FL, USA
Posted on 2021-04-23
Dataset underlying the research of: new insights into the fluidisation characteristics of granular activated carbon for drinking water treatment applications
Posted on 2021-03-17
LAMMPS Input and Simulation Output Data for Vapor Sorption of Binary Solvents in Polymer Brushes
Posted on 2020-12-24
ABC-Salt WP 3.2 Data underlying the publication: Hydrolysis of eutectic compositions in the ZnCl2:KCl:NaCl ternary system and effect of adding ZnO
Posted on 2020-11-30
ABC-Salt_WP 3.2_Data underlying the publication: Hydrolysis of eutectic compositions in the ZnCl2:KCl:NaCl ternary system and effect of adding ZnO.xlsx
Posted on 2020-11-30
Data Underlying the Publication: "ATP Regeneration by a Single Polyphosphate Kinase Powers Multigram-Scale Aldehyde Synthesis In Vitro"
Posted on 2020-12-23
Complete dataset for the publication "Composition- and Condition-Dependent Kinetics of Homogeneous Ester Hydrogenation by Mn-based Catalyst"
Posted on 2020-11-26
Complete dataset for publication: Robust and Efficient Hydrogenation of Carbonyl Compounds Catalysed by Mixed Donor Mn(I) Pincer Complexes
Posted on 2021-05-12
Data underlying the publication: Organocatalytic Control over a Fuel-Driven Transient-Esterification Network
Posted on 2020-11-09
Data underlying the publication: Organocatalytic Control over a Fuel-Driven Transient-Esterification Network
Posted on 2020-11-10
Raw data for paper "Manganese-mediated C-C bond formation: alkoxycarbonylation of organoboranes"
Posted on 2021-02-24
Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping
Posted on 2021-06-03
Data of Figures in the publication: Unfavorable Interactions Enhance Vapor Absorption in Mixed Polymer Brushes
Posted on 2022-10-20
Supplementary data for the paper: Dry reforming of methane to test passivation stability of Ni/ Al2O3 catalysts
Posted on 2021-02-08
Data underlying the research on binding of archaeal histones HMfA and HMfB to DNA.
Posted on 2020-11-27
Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
Posted on 2020-10-01
Data underlying the publication: ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
Posted on 2021-10-04
Data underlying the publication: ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
Posted on 2021-06-14
Data underlying the publication: ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
Posted on 2021-12-01