Institute of Climate and Energy Systems

Institute of Climate and Energy Systems (ICE) - Troposphere (ICE-3)

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11 to 20 of 22 Results

Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds Sep 21, 2022 Vereecken, Luc, 2022, "Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds", https://doi.org/10.26165/JUELICH-DATA/GLU9BW, Jülich DATA, V1 Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ
Replication Data for: Zeppelin flights 2020: Electrochemical sensors Jun 27, 2022 Schuldt, Tobias; Georgios I. Gkatzelis; Christian Wesolek; Franz Rohrer; Benjamin Winter; Thomas A. J. Kuhlbusch; Astrid Kiendler-Scharr; Ralf Tillmann, 2022, "Replication Data for: Zeppelin flights 2020: Electrochemical sensors", https://doi.org/10.26165/JUELICH-DATA/6D8B70, Jülich DATA, V1 Data of MIRO and sensor setups (raw) measurements acquired during the Zeppelin flights 2020.
Data of ClNO2 for Campaign JULIAC 2019 May 31, 2022 Tan, Zhaofeng; Fuchs, Hendrik; Hofzumahaus, Andreas; Bloss, William; Bohn, Birger; Cho, Changmin; Hohaus, Thorsten; Holland, Frank; Lakshmisha, Chandrakiran; Liu, Lu; Monks, Paul; Novelli, Anna; Niether, Doreen; Rohrer, Franz; Tillmann, Ralf; Valkenburg, Thalassa; Vardhan, Vaishali; Kiendler-Scharr, Astrid; Wahner, Andreas; Sommariva, Roberto, 2022, "Data of ClNO2 for Campaign JULIAC 2019", https://doi.org/10.26165/JUELICH-DATA/XG6YGZ, Jülich DATA, V1 This is a data set for ClNO2 analysis during the JULIAC campaign. The data is from experiments in the atmospheric simulation chamber SAPHIR (three months) or were directly taken from the inlet (two months). Gas-phase species, meteorological paramters and aerosol properties were m...
Data Experiments SAPHIR chamber Campaign JULIAC 2019 Apr 22, 2022 Cho, Changmin; Fuchs, Hendrik; Hofzumahaus, Andreas; Holland, Frank; Bohn, Birger; Glowania, Marvin; Hohaus, Thorsten; Lu, Liu; Niehter, Doreen; Rohrer, Franz; Sommariva, Roberto; Tan, Zhaofeng; Tillmann, Ralf; Kiendler-Scharr, Astrid; Wahner, Andreas; Novelli, Anna, 2022, "Data Experiments SAPHIR chamber Campaign JULIAC 2019", https://doi.org/10.26165/JUELICH-DATA/3J80BW, Jülich DATA, V1 The data is from experiments in the atmospheric simulation chamber SAPHIR. In the JULIAC campaign, ambient air was continuoulsy flowed with a high flow (residence time of air: 1 hour) through the chamber for 4 weeks in each season 2019. Gas-phase species, radicals and aerosol pro...
Replication Data for: Zeppelin flights 2020: Air quality observations Apr 1, 2022 Tillmann, Ralf, 2022, "Replication Data for: Zeppelin flights 2020: Air quality observations", https://doi.org/10.26165/JUELICH-DATA/7ZZIXJ, Jülich DATA, V1 Final data of MIRO measurements acquired during the Zeppelin flights 2020. Data is provided in netCDF-Format.
Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions Mar 17, 2022 Vereecken, Luc, 2022, "Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions", https://doi.org/10.26165/JUELICH-DATA/MCZDGS, Jülich DATA, V1 Selected quantum chemical data is available on all SCI, transition states and products discussed in this work. This includes geometries, moments of inertia for molecular rotation, vibrational wavenumbers, zero point energies, potential energies at various levels of theory, and T1...
Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide Dec 23, 2021 Vereecken, Luc, 2021, "Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide", https://doi.org/10.26165/JUELICH-DATA/4JCZ9O, Jülich DATA, V1 This data set provides the quantum chemical data characterizing reactions in the OH-initiated oxidation of dimethylsulfide (DMS). It focuses mainly on the chemistry of hydroperoxymethylthioformate (HPMTF). Geometries and vibrational wavenumbers are obtained at the M06-2X-D3/aug-c...
Corrigendum Supporting Information Vereecken et al. 2017 Nov 5, 2021 Vereecken, Luc, 2021, "Corrigendum Supporting Information Vereecken et al. 2017", https://doi.org/10.26165/JUELICH-DATA/UJ8OUQ, Jülich DATA, V1 The supporting information of the Vereecken et al. (2017) publication inadvertantly left out part of the supporting information of unsaturated Criegee intermediates. This information is made available below. Source publication: L. Vereecken, A. Novelli, D. Taraborrelli Unimolecul...
Model output from CAABA/MECCA obtained during the development of JAMOC Apr 23, 2021 Rosanka, Simon; Sander, Rolf; Wahner, Andreas; Taraborrelli, Domenico, 2021, "Model output from CAABA/MECCA obtained during the development of JAMOC", https://doi.org/10.26165/JUELICH-DATA/SD9F6B, Jülich DATA, V1 This dataset contains the model output from the box-model Chemistry As A Boxmodel Application (CAABA) using the Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA) obtained during the development of the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC...
Formaldehyde Comparison (CRDS, DOAS, Hantzsch) SAPHIR chamber 2019 Feb 24, 2021 Fuchs, Hendrik; Glowania, Marvin; Dorn, Hans-Peter; Rohrer, Franz, 2021, "Formaldehyde Comparison (CRDS, DOAS, Hantzsch) SAPHIR chamber 2019", https://doi.org/10.26165/JUELICH-DATA/VE2KNS, Jülich DATA, V1 Three instruments using different techniques were used to measure gaseous formaldehyde (HCHO) concentrations in experiments in the atmospheric simulation chamber SAPHIR at Forschungszentrum Jülich. One instrument detected HCHO by using the wet-chemical Hantzsch reaction for effic...

Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds

Sep 21, 2022

Vereecken, Luc, 2022, "Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds", https://doi.org/10.26165/JUELICH-DATA/GLU9BW, Jülich DATA, V1

Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ

Replication Data for: Zeppelin flights 2020: Electrochemical sensors

Jun 27, 2022

Schuldt, Tobias; Georgios I. Gkatzelis; Christian Wesolek; Franz Rohrer; Benjamin Winter; Thomas A. J. Kuhlbusch; Astrid Kiendler-Scharr; Ralf Tillmann, 2022, "Replication Data for: Zeppelin flights 2020: Electrochemical sensors", https://doi.org/10.26165/JUELICH-DATA/6D8B70, Jülich DATA, V1

Data of MIRO and sensor setups (raw) measurements acquired during the Zeppelin flights 2020.

Data of ClNO2 for Campaign JULIAC 2019

May 31, 2022

Tan, Zhaofeng; Fuchs, Hendrik; Hofzumahaus, Andreas; Bloss, William; Bohn, Birger; Cho, Changmin; Hohaus, Thorsten; Holland, Frank; Lakshmisha, Chandrakiran; Liu, Lu; Monks, Paul; Novelli, Anna; Niether, Doreen; Rohrer, Franz; Tillmann, Ralf; Valkenburg, Thalassa; Vardhan, Vaishali; Kiendler-Scharr, Astrid; Wahner, Andreas; Sommariva, Roberto, 2022, "Data of ClNO2 for Campaign JULIAC 2019", https://doi.org/10.26165/JUELICH-DATA/XG6YGZ, Jülich DATA, V1

This is a data set for ClNO2 analysis during the JULIAC campaign. The data is from experiments in the atmospheric simulation chamber SAPHIR (three months) or were directly taken from the inlet (two months). Gas-phase species, meteorological paramters and aerosol properties were m...

Data Experiments SAPHIR chamber Campaign JULIAC 2019

Apr 22, 2022

Cho, Changmin; Fuchs, Hendrik; Hofzumahaus, Andreas; Holland, Frank; Bohn, Birger; Glowania, Marvin; Hohaus, Thorsten; Lu, Liu; Niehter, Doreen; Rohrer, Franz; Sommariva, Roberto; Tan, Zhaofeng; Tillmann, Ralf; Kiendler-Scharr, Astrid; Wahner, Andreas; Novelli, Anna, 2022, "Data Experiments SAPHIR chamber Campaign JULIAC 2019", https://doi.org/10.26165/JUELICH-DATA/3J80BW, Jülich DATA, V1

The data is from experiments in the atmospheric simulation chamber SAPHIR. In the JULIAC campaign, ambient air was continuoulsy flowed with a high flow (residence time of air: 1 hour) through the chamber for 4 weeks in each season 2019. Gas-phase species, radicals and aerosol pro...

Replication Data for: Zeppelin flights 2020: Air quality observations

Apr 1, 2022

Tillmann, Ralf, 2022, "Replication Data for: Zeppelin flights 2020: Air quality observations", https://doi.org/10.26165/JUELICH-DATA/7ZZIXJ, Jülich DATA, V1

Final data of MIRO measurements acquired during the Zeppelin flights 2020. Data is provided in netCDF-Format.

Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions

Mar 17, 2022

Vereecken, Luc, 2022, "Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions", https://doi.org/10.26165/JUELICH-DATA/MCZDGS, Jülich DATA, V1

Selected quantum chemical data is available on all SCI, transition states and products discussed in this work. This includes geometries, moments of inertia for molecular rotation, vibrational wavenumbers, zero point energies, potential energies at various levels of theory, and T1...

Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide

Dec 23, 2021

Vereecken, Luc, 2021, "Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide", https://doi.org/10.26165/JUELICH-DATA/4JCZ9O, Jülich DATA, V1

This data set provides the quantum chemical data characterizing reactions in the OH-initiated oxidation of dimethylsulfide (DMS). It focuses mainly on the chemistry of hydroperoxymethylthioformate (HPMTF). Geometries and vibrational wavenumbers are obtained at the M06-2X-D3/aug-c...

Corrigendum Supporting Information Vereecken et al. 2017

Nov 5, 2021

Vereecken, Luc, 2021, "Corrigendum Supporting Information Vereecken et al. 2017", https://doi.org/10.26165/JUELICH-DATA/UJ8OUQ, Jülich DATA, V1

The supporting information of the Vereecken et al. (2017) publication inadvertantly left out part of the supporting information of unsaturated Criegee intermediates. This information is made available below. Source publication: L. Vereecken, A. Novelli, D. Taraborrelli Unimolecul...

Model output from CAABA/MECCA obtained during the development of JAMOC

Apr 23, 2021

Rosanka, Simon; Sander, Rolf; Wahner, Andreas; Taraborrelli, Domenico, 2021, "Model output from CAABA/MECCA obtained during the development of JAMOC", https://doi.org/10.26165/JUELICH-DATA/SD9F6B, Jülich DATA, V1

This dataset contains the model output from the box-model Chemistry As A Boxmodel Application (CAABA) using the Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA) obtained during the development of the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC...

Formaldehyde Comparison (CRDS, DOAS, Hantzsch) SAPHIR chamber 2019

Feb 24, 2021

Fuchs, Hendrik; Glowania, Marvin; Dorn, Hans-Peter; Rohrer, Franz, 2021, "Formaldehyde Comparison (CRDS, DOAS, Hantzsch) SAPHIR chamber 2019", https://doi.org/10.26165/JUELICH-DATA/VE2KNS, Jülich DATA, V1

Three instruments using different techniques were used to measure gaseous formaldehyde (HCHO) concentrations in experiments in the atmospheric simulation chamber SAPHIR at Forschungszentrum Jülich. One instrument detected HCHO by using the wet-chemical Hantzsch reaction for effic...

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