Institute of Climate and Energy Systems

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

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21 to 27 of 27 Results

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...
Characterization and application of a chemical modulation reactor during the JULIAC campaign Feb 23, 2021 Cho, Changmin; Hofzumahaus, Andreas; Fuchs, Hendrik; Dorn, Hans-Peter; Glowania, Marvin; Holland, Frank; Rohrer, Franz; Vardhan, Vaishali; Kiendler-Scharr, Astrid; Wahner, Andreas; Novelli, Anna, 2021, "Characterization and application of a chemical modulation reactor during the JULIAC campaign", https://doi.org/10.26165/JUELICH-DATA/GK7PJQ, Jülich DATA, V1 Laser-induced fluorescence (LIF) is a widely used technique for the measurement of ambient hydroxyl (OH) radicals and was used for the majority of field campaigns and chamber experiments. Recently, most LIF instruments in use for atmospheric measurements of OH radicals introduced...
2016 field campaign BEST-ONE (Beijing winter fine particulate Study - Oxidation, Nucleation, and light Extinctions) Nov 3, 2020 Gkatzelis, Georgios; Dimitrios K. Papanastasiou; Vlassis A. Karydis; Thorsten Hohaus; Ying Liu; Sebastian H. Schmitt; Patrick Schlag; Hendrik Fuchs; Anna Novelli; Qi Chen; Xi Cheng; Sebastian Broch; Huabin Dong; Frank Holland; Xin Li; Yuhan Liu; Xuefei Ma; David Reimer; Franz Rohrer; Min Shao; Zhaofeng Tan; Domenico Taraborrelli; Ralf Tillmann; Haichao Wang; Yu Wang; Yusheng Wu; Zhijun Wu; Limin Zheng; Jun Zheng; Min Hu; Keding Lu; Andreas Hofzumahaus; Yuanhang Zhang; Andreas Wahner; Astrid Kiendler-Scharr, 2020, "2016 field campaign BEST-ONE (Beijing winter fine particulate Study - Oxidation, Nucleation, and light Extinctions)", https://doi.org/10.26165/JUELICH-DATA/BQOLQF, Jülich DATA, V1 This dataset is based on the 2016 field campaign BEST-ONE (Beijing winter fine particulate Study - Oxidation, Nucleation, and light Extinctions) and is a product of the International Joint Laboratory for Regional Pollution Control, Jülich, Germany, and Beijing, China. More specif...

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...

Characterization and application of a chemical modulation reactor during the JULIAC campaign

Feb 23, 2021

Cho, Changmin; Hofzumahaus, Andreas; Fuchs, Hendrik; Dorn, Hans-Peter; Glowania, Marvin; Holland, Frank; Rohrer, Franz; Vardhan, Vaishali; Kiendler-Scharr, Astrid; Wahner, Andreas; Novelli, Anna, 2021, "Characterization and application of a chemical modulation reactor during the JULIAC campaign", https://doi.org/10.26165/JUELICH-DATA/GK7PJQ, Jülich DATA, V1

Laser-induced fluorescence (LIF) is a widely used technique for the measurement of ambient hydroxyl (OH) radicals and was used for the majority of field campaigns and chamber experiments. Recently, most LIF instruments in use for atmospheric measurements of OH radicals introduced...

2016 field campaign BEST-ONE (Beijing winter fine particulate Study - Oxidation, Nucleation, and light Extinctions)

Nov 3, 2020

Gkatzelis, Georgios; Dimitrios K. Papanastasiou; Vlassis A. Karydis; Thorsten Hohaus; Ying Liu; Sebastian H. Schmitt; Patrick Schlag; Hendrik Fuchs; Anna Novelli; Qi Chen; Xi Cheng; Sebastian Broch; Huabin Dong; Frank Holland; Xin Li; Yuhan Liu; Xuefei Ma; David Reimer; Franz Rohrer; Min Shao; Zhaofeng Tan; Domenico Taraborrelli; Ralf Tillmann; Haichao Wang; Yu Wang; Yusheng Wu; Zhijun Wu; Limin Zheng; Jun Zheng; Min Hu; Keding Lu; Andreas Hofzumahaus; Yuanhang Zhang; Andreas Wahner; Astrid Kiendler-Scharr, 2020, "2016 field campaign BEST-ONE (Beijing winter fine particulate Study - Oxidation, Nucleation, and light Extinctions)", https://doi.org/10.26165/JUELICH-DATA/BQOLQF, Jülich DATA, V1

This dataset is based on the 2016 field campaign BEST-ONE (Beijing winter fine particulate Study - Oxidation, Nucleation, and light Extinctions) and is a product of the International Joint Laboratory for Regional Pollution Control, Jülich, Germany, and Beijing, China. More specif...

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