Institute of Climate and Energy Systems

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

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1,861 to 1,870 of 1,896 Results

SI_unimolecular.txt Mar 17, 2022 - Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions Plain Text - 8.3 MB - SHA-256: ab14368e344bd2a72e170c7d0e09f58a01d0381c610d653f45cc16b81815ca0b Quantum chemical data for SCI and their transition states for unimolecular reaction
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...
SI.txt Dec 23, 2021 - Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide Plain Text - 529.8 KB - SHA-256: 8ff9b3781efbff553f254dd6cbb13c84b154064189286a39f7a204bbebd941a4 Quantum chemical data for the OH-initiated oxidation of DMS
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...
Corrigendum_SI_Vereecken_et_al_2017.txt Nov 5, 2021 - Corrigendum Supporting Information Vereecken et al. 2017 Plain Text - 477.2 KB - SHA-256: d43499272766bae7771c67b2b33194fe536ea6cfeaa91cdfa371851e0d137b26 Quantum chemical data on unsaturated Criegee intermediates
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...
JAMOC_caaba_jval.nc Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC Network Common Data Form - 224.3 KB - SHA-256: 029fae4e20e6b01d589f7748b76acd2378a59560ba8be0a4a2e9b6f4b71b4e35 Photolysis rates from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).
JAMOC_caaba_mecca_aero.nc Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC Network Common Data Form - 5.0 KB - SHA-256: 2dbe0b068fdc104b8cb7d5f3c78cc72e276c6de045bc9f9c1e992ba68e5dd70e Box-model physical properties (liquid water content) from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).
JAMOC_caaba_mecca.nc Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC Network Common Data Form - 1.7 MB - SHA-256: 90b866d23f994989ca5cf29b36f20a854563f4b2fff572bdd390fe9114ff8f41 Tracer mixing ratios from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).
JAMOC_caaba_messy.nc Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC Network Common Data Form - 8.2 KB - SHA-256: 637357ff81bbb761bee13453762a9a7a36c5645833d78799cb414e6e5c637373 Box-model physical properties (pressure, temperature, and solar zenith angle) from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

SI_unimolecular.txt

Mar 17, 2022 - Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions

Plain Text - 8.3 MB - SHA-256: ab14368e344bd2a72e170c7d0e09f58a01d0381c610d653f45cc16b81815ca0b

Quantum chemical data for SCI and their transition states for unimolecular reaction

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...

SI.txt

Dec 23, 2021 - Quantum chemical data on the atmospheric oxidation mechanism of dimethylsulfide

Plain Text - 529.8 KB - SHA-256: 8ff9b3781efbff553f254dd6cbb13c84b154064189286a39f7a204bbebd941a4

Quantum chemical data for the OH-initiated oxidation of DMS

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...

Corrigendum_SI_Vereecken_et_al_2017.txt

Nov 5, 2021 - Corrigendum Supporting Information Vereecken et al. 2017

Plain Text - 477.2 KB - SHA-256: d43499272766bae7771c67b2b33194fe536ea6cfeaa91cdfa371851e0d137b26

Quantum chemical data on unsaturated Criegee intermediates

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...

JAMOC_caaba_jval.nc

Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC

Network Common Data Form - 224.3 KB - SHA-256: 029fae4e20e6b01d589f7748b76acd2378a59560ba8be0a4a2e9b6f4b71b4e35

Photolysis rates from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

JAMOC_caaba_mecca_aero.nc

Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC

Network Common Data Form - 5.0 KB - SHA-256: 2dbe0b068fdc104b8cb7d5f3c78cc72e276c6de045bc9f9c1e992ba68e5dd70e

Box-model physical properties (liquid water content) from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

JAMOC_caaba_mecca.nc

Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC

Network Common Data Form - 1.7 MB - SHA-256: 90b866d23f994989ca5cf29b36f20a854563f4b2fff572bdd390fe9114ff8f41

Tracer mixing ratios from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

JAMOC_caaba_messy.nc

Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC

Network Common Data Form - 8.2 KB - SHA-256: 637357ff81bbb761bee13453762a9a7a36c5645833d78799cb414e6e5c637373

Box-model physical properties (pressure, temperature, and solar zenith angle) from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

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