Edmond

Metrics

1,698,964 Downloads

Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Subject: Chemistry

1 to 10 of 91 Results

Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)' Jul 18, 2025 Krueger, Matteo; Berkemeier, Thomas, 2025, "Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'", https://doi.org/10.17617/3.GIKHJL, Edmond, V2 We propose a novel approach to predict saturation vapor pressures using group contribution-assisted graph convolutional neural networks (GC2NN), which use both, molecular descriptors like molar mass and functional group counts, as well as molecular graphs containing atom and bond features, as representations of molecular structure. Molecular graphs...
Erratum to the thesis Airborne measurements of the UTLS aerosol chemical composition over Germany using particle mass spectrometry Jul 17, 2025 Brauner, Philipp, 2025, "Erratum to the thesis Airborne measurements of the UTLS aerosol chemical composition over Germany using particle mass spectrometry", https://doi.org/10.17617/3.JY56R0, Edmond, V1 This dataset contains the erratum to the thesis "Airborne measurements of the UTLS aerosol chemical composition over Germany using particle mass spectrometry, submitted 2024" (doi:10.25358/openscience-10892). The erratum contains a corrected version of the figures provided in the thesis and discusses major changes that were observed between the ori...
Protometabolically Generated NADH Mediates Material Properties of Aqueous Dispersions to Coacervate Microdroplets data Jul 17, 2025 Bose, Rudrarup; Rossetto, Daniele, 2025, "Protometabolically Generated NADH Mediates Material Properties of Aqueous Dispersions to Coacervate Microdroplets data", https://doi.org/10.17617/3.QFXGQA, Edmond, V1 Data for publication with title: Protometabolically Generated NADH Mediates Material Properties of Aqueous Dispersions to Coacervate
Revisiting the Reaction Mechanism of Electrochemical 1,4-NADH Regeneration on Carbon Electrodes Jul 14, 2025 Al-Shaibani, Mohammed Ali Saif; Verma, Saksham; Živković, Luka; Vidakovic-Koch, Tanja, 2025, "Revisiting the Reaction Mechanism of Electrochemical 1,4-NADH Regeneration on Carbon Electrodes", https://doi.org/10.17617/3.WPA784, Edmond, V1 All the data related to the publication can be found in the dataset including figures and experimental data.
Mass spectrometry imaging of Antarctic Ulva and its native microbiome with AP-SMALDI-HRMS Jul 1, 2025 Vallet, Marine, 2025, "Mass spectrometry imaging of Antarctic Ulva and its native microbiome with AP-SMALDI-HRMS", https://doi.org/10.17617/3.HJPDTU, Edmond, V1 The algal holobiont, which consists of algae and the bacteria living on it, has developed strategies to handle environmental stresses, such as changes in temperature. The green alga Ulva (Chlorophyta) hosts bacteria that promote algal growth and development, from germlings to mature plants. These associated bacteria produce bioactive compounds, inc...
Single-cell metabolomics for phenotyping of parasite diseases and identification of disease related metabolites in phytoplankton Jul 1, 2025 Vallet, Marine; Kaftan, Filip; Svatos, Ales; Pohnert, Georg, 2021, "Single-cell metabolomics for phenotyping of parasite diseases and identification of disease related metabolites in phytoplankton", https://doi.org/10.17617/3.50, Edmond, V3 Bloom-forming phytoplankton are key players in aquatic ecosystems, fixing carbon dioxide and forming the base of the marine food web. Diverse stresses, such as nutrient depletion, temperature increase, and pathogen emergence can influence the health and dynamics of algal populations. While population responses to these stressors are well-documented...
Data for Combined X-ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution Jun 26, 2025 Mathe, Zachary Shane; DeBeer, Serena, 2025, "Data for Combined X-ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution", https://doi.org/10.17617/3.NINN3Q, Edmond, V1 Data supporting the publication "Combined X-ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution", including experimental data, calculated data, and ORCA input files.
Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior Jun 17, 2025 Li, Lang, 2025, "Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior", https://doi.org/10.17617/3.YIU9ZE, Edmond, V1 This dataset contains the ab initio molecular dynamics (AIMD) input files used for simulating the Pt(111)/water interface, as presented in the accompanying publication. The files include the system setup for our DFT-PCH method, and parameters necessary for reproducing the simulations, such as the exchange-correlation functional, pseudopotentials.
Predicting Electrolyzer Performance under Forced Periodic Operation using Nonlinear Frequency Response Method Jun 12, 2025 Milicic, Tamara; Puteanus, Simon; Xenia Becker; Steffen Bernet; Vidakovic-Koch, Tanja, 2025, "Predicting Electrolyzer Performance under Forced Periodic Operation using Nonlinear Frequency Response Method", https://doi.org/10.17617/3.FEEHJO, Edmond, V1 Industrial-scale electrolyzers are supplied by power converters with a mixture of DC current and superimposed current ripple. Therefore, electrolyzers are inevitably operated in a forced periodic regime. On the other hand, pulsed electrolysis, as a type of forced periodic operation, emerged as an attractive process intensification strategy. While t...
Automated atmospheric profiling with the Robotic Lift (RoLi) at the Amazon Tall Tower Observatory Jun 3, 2025 Brill, Sebastian; Pöhlker, Christopher, 2025, "Automated atmospheric profiling with the Robotic Lift (RoLi) at the Amazon Tall Tower Observatory", https://doi.org/10.17617/3.P0PHTC, Edmond, V1 An automatic robotic Lift (RoLi) was used to measure vertical profiles (8.3 - 318.3 m) of basic meteorological parameters and atmospheric aerosol characteristics at the 325 m tall ATTO Tower, located at the Amazon Tall Tower Observatory in Brazil (ATTO, -59.005626 E, -2.145898 N). This dataset includes exemplary measurements collected on January 8,...

Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'

Jul 18, 2025

Krueger, Matteo; Berkemeier, Thomas, 2025, "Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'", https://doi.org/10.17617/3.GIKHJL, Edmond, V2

We propose a novel approach to predict saturation vapor pressures using group contribution-assisted graph convolutional neural networks (GC2NN), which use both, molecular descriptors like molar mass and functional group counts, as well as molecular graphs containing atom and bond features, as representations of molecular structure. Molecular graphs...

Erratum to the thesis Airborne measurements of the UTLS aerosol chemical composition over Germany using particle mass spectrometry

Jul 17, 2025

Brauner, Philipp, 2025, "Erratum to the thesis Airborne measurements of the UTLS aerosol chemical composition over Germany using particle mass spectrometry", https://doi.org/10.17617/3.JY56R0, Edmond, V1

This dataset contains the erratum to the thesis "Airborne measurements of the UTLS aerosol chemical composition over Germany using particle mass spectrometry, submitted 2024" (doi:10.25358/openscience-10892). The erratum contains a corrected version of the figures provided in the thesis and discusses major changes that were observed between the ori...

Protometabolically Generated NADH Mediates Material Properties of Aqueous Dispersions to Coacervate Microdroplets data

Jul 17, 2025

Bose, Rudrarup; Rossetto, Daniele, 2025, "Protometabolically Generated NADH Mediates Material Properties of Aqueous Dispersions to Coacervate Microdroplets data", https://doi.org/10.17617/3.QFXGQA, Edmond, V1

Data for publication with title: Protometabolically Generated NADH Mediates Material Properties of Aqueous Dispersions to Coacervate

Revisiting the Reaction Mechanism of Electrochemical 1,4-NADH Regeneration on Carbon Electrodes

Jul 14, 2025

Al-Shaibani, Mohammed Ali Saif; Verma, Saksham; Živković, Luka; Vidakovic-Koch, Tanja, 2025, "Revisiting the Reaction Mechanism of Electrochemical 1,4-NADH Regeneration on Carbon Electrodes", https://doi.org/10.17617/3.WPA784, Edmond, V1

All the data related to the publication can be found in the dataset including figures and experimental data.

Mass spectrometry imaging of Antarctic Ulva and its native microbiome with AP-SMALDI-HRMS

Jul 1, 2025

Vallet, Marine, 2025, "Mass spectrometry imaging of Antarctic Ulva and its native microbiome with AP-SMALDI-HRMS", https://doi.org/10.17617/3.HJPDTU, Edmond, V1

The algal holobiont, which consists of algae and the bacteria living on it, has developed strategies to handle environmental stresses, such as changes in temperature. The green alga Ulva (Chlorophyta) hosts bacteria that promote algal growth and development, from germlings to mature plants. These associated bacteria produce bioactive compounds, inc...

Single-cell metabolomics for phenotyping of parasite diseases and identification of disease related metabolites in phytoplankton

Jul 1, 2025

Vallet, Marine; Kaftan, Filip; Svatos, Ales; Pohnert, Georg, 2021, "Single-cell metabolomics for phenotyping of parasite diseases and identification of disease related metabolites in phytoplankton", https://doi.org/10.17617/3.50, Edmond, V3

Bloom-forming phytoplankton are key players in aquatic ecosystems, fixing carbon dioxide and forming the base of the marine food web. Diverse stresses, such as nutrient depletion, temperature increase, and pathogen emergence can influence the health and dynamics of algal populations. While population responses to these stressors are well-documented...

Data for Combined X-ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution

Jun 26, 2025

Mathe, Zachary Shane; DeBeer, Serena, 2025, "Data for Combined X-ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution", https://doi.org/10.17617/3.NINN3Q, Edmond, V1

Data supporting the publication "Combined X-ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution", including experimental data, calculated data, and ORCA input files.

Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior

Jun 17, 2025

Li, Lang, 2025, "Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior", https://doi.org/10.17617/3.YIU9ZE, Edmond, V1

This dataset contains the ab initio molecular dynamics (AIMD) input files used for simulating the Pt(111)/water interface, as presented in the accompanying publication. The files include the system setup for our DFT-PCH method, and parameters necessary for reproducing the simulations, such as the exchange-correlation functional, pseudopotentials.

Predicting Electrolyzer Performance under Forced Periodic Operation using Nonlinear Frequency Response Method

Jun 12, 2025

Milicic, Tamara; Puteanus, Simon; Xenia Becker; Steffen Bernet; Vidakovic-Koch, Tanja, 2025, "Predicting Electrolyzer Performance under Forced Periodic Operation using Nonlinear Frequency Response Method", https://doi.org/10.17617/3.FEEHJO, Edmond, V1

Industrial-scale electrolyzers are supplied by power converters with a mixture of DC current and superimposed current ripple. Therefore, electrolyzers are inevitably operated in a forced periodic regime. On the other hand, pulsed electrolysis, as a type of forced periodic operation, emerged as an attractive process intensification strategy. While t...

Automated atmospheric profiling with the Robotic Lift (RoLi) at the Amazon Tall Tower Observatory

Jun 3, 2025

Brill, Sebastian; Pöhlker, Christopher, 2025, "Automated atmospheric profiling with the Robotic Lift (RoLi) at the Amazon Tall Tower Observatory", https://doi.org/10.17617/3.P0PHTC, Edmond, V1

An automatic robotic Lift (RoLi) was used to measure vertical profiles (8.3 - 318.3 m) of basic meteorological parameters and atmospheric aerosol characteristics at the 325 m tall ATTO Tower, located at the Amazon Tall Tower Observatory in Brazil (ATTO, -59.005626 E, -2.145898 N). This dataset includes exemplary measurements collected on January 8,...

Add Data

Share Dataverse

Link Dataverse

Reset Modifications