Chemical Sciences

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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
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 2021-02-25
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 2021-02-25
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 2020-10-17
EVERLASTING: Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management.
Posted on 2021-02-26
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
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
Rubber & Elastomer Development for MArtian enviRonmental applicationS (RED 4 MARS)
Posted on 2023-05-25
PhD data
Posted on 2023-05-04

All datasets

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 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
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 underlying the publication: Concentration-dependent effects of nickel doping on activated carbon biocathodes
Posted on 2022-03-14
Complete dataset for publication: Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes
Posted on 2021-05-12
Software from the book: Introduction to Molecular Simulation and Statistical Thermodynamics
Posted on 2016-03-02
Nonulosonic acid screening study dataset
Posted on 2020-02-27
Data from Figures in the paper: Method for the Detailed Characterization of Cosputtered Inorganic Luminescent Material Libraries
Posted on 2020-05-12
Data underlying the research of: Unexpected Reactivity of a PONNOP ‘Expanded Pincer’ Ligand
Posted on 2020-03-18
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
Intermolecular contacts for 224 001 molecular crystals from Cambridge Structural Database
Posted on 2020-01-08
Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
Posted on 2016-04-20
Data for "Emergence of Coupled Rotor Dynamics in Metal−Organic Frameworks via Tuned Steric Interactions"
Posted on 2021-08-12
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
Data Underlying the Publication: "ATP Regeneration by a Single Polyphosphate Kinase Powers Multigram-Scale Aldehyde Synthesis In Vitro"
Posted on 2020-12-23
Manganese complex properties, data underlying the bachelor thesis: Computational reconnaissance of the catalytic properties of manganese non-pincer complexes
Posted on 2021-04-21
Supplementary data for the paper: Impact of small promoter amounts on coke structure in dry reforming of methane over Ni/ ZrO2
Posted on 2020-06-10
Sources and Transformations of Anthropogenic Nitrogen along an Urban River-Estuarine Continuum
Posted on 2016-07-08
Accompanying data for the manuscript: The effect of hydrocarbon pollution on polysulfone-based membranes in aqueous separations
Posted on 2019-05-15
Data underlying the research of: Cooperative H2 Activation on Dicopper(I) Facilitated by Reversible Dearomatization of an 'Expanded PNNP Pincer' Ligand
Posted on 2019-09-13
Supplementary data for the research on Polymer brush friction in cylindrical geometries
Posted on 2019-09-05
Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
Posted on 2019-01-22
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
Targeted chemical characterization of the Pistacia Vera fruits by an innovative NMR approach
Posted on 2020-03-26
Structure dependence of molecular reactions on surfaces
Posted on 2018-09-25
Chemically Standardized Dataset of 512 Kinases for Statistical Modeling
Posted on 2020-02-13
Data underlying the article: Multistep synthesis of a valsartan precursor in continuous flow
Posted on 2019-10-14
Influence of Rayleigh-Bénard convection on electrokinetic instability in overlimiting current conditions
Posted on 2017-06-22
Dataset underlying the research of Uncertainties in Entropy due to Temperature Path Dependent Voltage Hysteresis in Li-Ion Cells
Posted on 2019-11-19
Influence of temperature gradients on mono- and divalent ion transport in electrodialysis at limiting currents
Posted on 2018-07-12
Modeling and simulation of inhomogeneities in a 18650 nickel-rich, silicon-graphite lithium-ion cell during fast charging - Dataset
Posted on 2018-11-16
Raw data for the paper: Biphasic biocatalysis using a CO2-switchable Pickering emulsion
Posted on 2019-11-28
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 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
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
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 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
LFP + NCM grain reflection metadata
Posted on 2018-05-31
Data presented in the paper "Uptake kinetics and storage capacity of dissolved inorganic phosphorus and corresponding dissolved inorganic nitrate uptake in saccharina latissma and laminaria digitata (phaeophyceae)"
Posted on 2019-02-04
Swelling of 9 polymers commonly employed for organic solvent nanofiltration: a comprehensive dataset
Posted on 2018-10-24
Data underlying the paper: Gamma radiation induced contraction of alkyne modified polymer hydrogels
Posted on 2021-11-02
Data relating to Fuel-Driven Macromolecular Coacervation in Complex Coacervate Core Micelles
Posted on 2022-04-04
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
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
Raw data for "Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation"
Posted on 2022-03-22
Supplementary data for the paper: Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow
Posted on 2020-07-22
Supplementary material for the research on : Efficiency of thermally activated eggshells for acid mine drainage treatment in cold climate
Posted on 2021-11-24
LAMMPS Input and Simulation Output Data for Vapor Sorption of Binary Solvents in Polymer Brushes
Posted on 2020-12-24
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
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 of Figures in the publication: Unfavorable Interactions Enhance Vapor Absorption in Mixed Polymer Brushes
Posted on 2022-10-20
Raw data contained in paper "Multilayer precursors for enhanced Sm2+ and Tm2+ in SiAlO thin films prepared by magnetron sputtering"
Posted on 2021-07-08
Data of Figures in the publication: Unfavorable Interactions Enhance Vapor Absorption in Mixed Polymer Brushes
Posted on 2021-09-07
Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling (Dataset)
Posted on 2017-12-12
High resolution figures to "Tunable order in alginate/graphene biopolymer nanocomposites"
Posted on 2020-02-20
Compound descriptors for text-mined orthosteric and allosteric dataset
Posted on 2020-03-10
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: direct air capture using electrochemically regenerated anion exchange resins
Posted on 2022-05-11
Experimental data: characterization of organic micropollutants behavior during electrochemical ammonia recovery
Posted on 2021-06-16
Experimental Data: Effluent pH correlates with electrochemical nitrogen recovery efficiency at pilot scale operation
Posted on 2022-08-22
Experimental data: direct air capture using electrochemically regenerated anion exchange resins
Posted on 2022-03-09
Papyrus - A large scale curated dataset aimed at bioactivity predictions
Posted on 2021-10-29
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
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 ammonium recovery from digested blackwater using electrodialysis in combination with Donnan dialysis
Posted on 2021-02-20
Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors
Posted on 2020-10-13
Experimental data ammonium recovery from digested blackwater using electrodialysis in combination with Donnan dialysis
Posted on 2021-02-19
Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors
Posted on 2020-09-28
Dataset underlying the research of Reversible Self-discharge and Calendar Aging of 18650 Nickel-rich, Silicon-Graphite Lithium-ion Cells
Posted on 2019-04-11
Data underlying the article: Chemoenzymatic Synthesis of Sialic Acid Derivatives Using Immobilized N-Acetylneuraminate Lyase in a Continuous Flow Reactor
Posted on 2019-10-14
Dataset underlying the research of Cell-to-Cell Variation of Calendar Aging and ReversibleSelf-discharge in 18650 Nickel-rich, Silicon-GraphiteLithium-ion Cells
Posted on 2019-11-19
Data underlying the article: Development of a multistep reaction cascade for the synthesis of a sacubitril precursor in continuous flow
Posted on 2019-11-25
Parameter Estimation of an Electrochemistry-based Lithium-ion Battery Model using a Two-Step Procedure and a Parameter Sensitivity Analysis
Posted on 2017-11-29
Data underlying the research of Chemoenzymatic Synthesis of Sialic Acid Derivatives Using Immobilized N-Acetylneuraminate Lyase in a Continuous Flow Reactor
Posted on 2019-04-25
Enhanced ion transport using geometrically structured charge selective interfaces
Posted on 2018-07-12
Dataset underlying the research of Online Aging Determination in Lithium-ion Battery Module with Forced Temperature Gradient
Posted on 2019-11-19
Data underlying the paper: Thioanisole Ester Based Logic Gate Cascade to Control ROS-triggered Micellar Degradation
Posted on 2022-04-12
Data underlying the publication: Photocatalytic ceramic membrane: Effect of the illumination intensity and distribution
Posted on 2022-12-06
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
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
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
Data set for "Vapor sorption in binary polymer brushes: the effect of thepolymer-polymer interface"
Posted on 2021-09-07
Data underlying the article: Heterogeneous Pd catalysts as emulsifiers in Pickering emulsions for integrated multistep synthesis in flow chemistry
Posted on 2019-10-14
Dataset Cyclic Voltammetry is invasive on microbial electrosynthesis
Posted on 2021-12-08
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 research of: E-selective Semi-hydrogenation of Alkynes by a Diruthenium Hydride Complex
Posted on 2022-06-09
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