Institute of Climate and Energy Systems

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

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41 to 50 of 1,895 Results

Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway Jul 10, 2023 Vereecken, Luc, 2023, "Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway", https://doi.org/10.26165/JUELICH-DATA/9JVHEK, 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
Quantumchemical_data.txt Jul 10, 2023 - Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway Plain Text - 242.9 KB - SHA-256: ae57eb620f651ccd67f0536eb076f692883c3544990ff52951156e8065a77c05 Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants.
Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Jul 1, 2023 Wieser, Felix; Taraborrelli, Domenico; Sander, Rolf, 2023, "Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"", https://doi.org/10.26165/JUELICH-DATA/FNT6BK, Jülich DATA, V1 This dataset includes the main data obtained during the study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" (DOI:10.5194/gmd-2023-102). The updated model code can be found at zenodo.org (DOI:10....
BASE_278.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 750.9 KB - SHA-256: 995ac3804868f261737effa788d173ff7f45c3ccf64adb9f2268d796c651ab5d CAABA/MECCA version 4.5.6-rc.1 output at 278 K
BASE_298.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 750.9 KB - SHA-256: fdae78bea6c498a5c4eff19c45637f190106a35a91443d0b91b209fe7f580660 CAABA/MECCA version 4.5.6-rc.1 output at 298 K
HNOX.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 750.9 KB - SHA-256: 6adf89f88e9b6813c95f66a43facf621c3a538fbedd7e39475ea166d243e57b2 CAABA/MECCA version 4.5.6-rc.1 output at 298 K and high NOx
LNOX.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 750.9 KB - SHA-256: 3602cac497af95307cfbd7381a082b72d0cc108b1b72c2a70cb436efda881e97 CAABA/MECCA version 4.5.6-rc.1 output at 298 K and low NOx
MNOX.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 750.9 KB - SHA-256: 5abc088375293e60edfe9ea6c06b54c1f425f7a78ee1c297bbec50122a305caf CAABA/MECCA version 4.5.6-rc.1 output at 298 K and medium NOx
OLD_278.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 664.3 KB - SHA-256: 1cea2cb8a89e27142523f7ef6e20a06a11cfa308c0d5ed0479afa416ac9480e0 CAABA/MECCA version 4.5.5 output at 278 K
OLD_298.nc Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Network Common Data Form - 664.3 KB - SHA-256: 6b97e0162e41b3df2cb5b29caed9cd5d4748c745bc4e62e049cf48815a6d2ae6 CAABA/MECCA version 4.5.5 output at 298 K

Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway

Jul 10, 2023

Vereecken, Luc, 2023, "Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway", https://doi.org/10.26165/JUELICH-DATA/9JVHEK, 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

Quantumchemical_data.txt

Jul 10, 2023 - Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway

Plain Text - 242.9 KB - SHA-256: ae57eb620f651ccd67f0536eb076f692883c3544990ff52951156e8065a77c05

Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants.

Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Jul 1, 2023

Wieser, Felix; Taraborrelli, Domenico; Sander, Rolf, 2023, "Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"", https://doi.org/10.26165/JUELICH-DATA/FNT6BK, Jülich DATA, V1

This dataset includes the main data obtained during the study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" (DOI:10.5194/gmd-2023-102). The updated model code can be found at zenodo.org (DOI:10....

BASE_278.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 750.9 KB - SHA-256: 995ac3804868f261737effa788d173ff7f45c3ccf64adb9f2268d796c651ab5d

CAABA/MECCA version 4.5.6-rc.1 output at 278 K

BASE_298.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 750.9 KB - SHA-256: fdae78bea6c498a5c4eff19c45637f190106a35a91443d0b91b209fe7f580660

CAABA/MECCA version 4.5.6-rc.1 output at 298 K

HNOX.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 750.9 KB - SHA-256: 6adf89f88e9b6813c95f66a43facf621c3a538fbedd7e39475ea166d243e57b2

CAABA/MECCA version 4.5.6-rc.1 output at 298 K and high NOx

LNOX.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 750.9 KB - SHA-256: 3602cac497af95307cfbd7381a082b72d0cc108b1b72c2a70cb436efda881e97

CAABA/MECCA version 4.5.6-rc.1 output at 298 K and low NOx

MNOX.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 750.9 KB - SHA-256: 5abc088375293e60edfe9ea6c06b54c1f425f7a78ee1c297bbec50122a305caf

CAABA/MECCA version 4.5.6-rc.1 output at 298 K and medium NOx

OLD_278.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 664.3 KB - SHA-256: 1cea2cb8a89e27142523f7ef6e20a06a11cfa308c0d5ed0479afa416ac9480e0

CAABA/MECCA version 4.5.5 output at 278 K

OLD_298.nc

Jul 1, 2023 - Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Network Common Data Form - 664.3 KB - SHA-256: 6b97e0162e41b3df2cb5b29caed9cd5d4748c745bc4e62e049cf48815a6d2ae6

CAABA/MECCA version 4.5.5 output at 298 K

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