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1 to 10 of 12 Results
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",, 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
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",, Jülich DATA, V1
Data of MIRO and sensor setups (raw) measurements acquired during the Zeppelin flights 2020.
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",, 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...
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",, 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...
Apr 1, 2022
Tillmann, Ralf, 2022, "Replication Data for: Zeppelin flights 2020: Air quality observations",, Jülich DATA, V1
Final data of MIRO measurements acquired during the Zeppelin flights 2020. Data is provided in netCDF-Format.
Mar 17, 2022
Vereecken, Luc, 2022, "Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions",, 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...
Dec 23, 2021
Vereecken, Luc, 2021, "Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide",, 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...
Nov 5, 2021
Vereecken, Luc, 2021, "Corrigendum Supporting Information Vereecken et al. 2017",, 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...
Apr 23, 2021
Rosanka, Simon; Sander, Rolf; Wahner, Andreas; Taraborrelli, Domenico, 2021, "Model output from CAABA/MECCA obtained during the development of JAMOC",, 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...
Feb 24, 2021
Fuchs, Hendrik; Glowania, Marvin; Dorn, Hans-Peter; Rohrer, Franz, 2021, "Formaldehyde Comparison (CRDS, DOAS, Hantzsch) SAPHIR chamber 2019",, 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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