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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation |
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Identification Number: |
doi:10.26165/JUELICH-DATA/YWB5P1 |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2022-11-24 |
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Version: |
1 |
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Bibliographic Citation: |
Vereecken, Luc, 2022, "Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation", https://doi.org/10.26165/JUELICH-DATA/YWB5P1, Jülich DATA, V1 |
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Citation |
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Title: |
Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation |
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Identification Number: |
doi:10.26165/JUELICH-DATA/YWB5P1 |
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Authoring Entity: |
Vereecken, Luc (Forschungszentrum Jülich GmbH) |
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Distributor: |
Jülich DATA |
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Access Authority: |
Vereecken, Luc |
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Depositor: |
Vereecken, Luc |
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Date of Deposit: |
2022-11-24 |
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Study Scope |
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Keywords: |
Chemistry |
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Abstract: |
Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Notes: |
CC0 Waiver |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Identification Number: |
10.5194/acp-23-3147-2023 |
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Bibliographic Citation: |
Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO₃ oxidation, Philip T. M. Carlsson, Luc Vereecken, Anna Novelli, François Bernard, Steven S. Brown, Bellamy Brownwood, Changmin Cho, John N. Crowley, Patrick Dewald, Peter M. Edwards, Nils Friedrich, Juliane L. Fry, Mattias Hallquist, Luisa Hantschke, Thorsten Hohaus, Sungah Kang, Jonathan Liebmann, Alfred W. Mayhew, Thomas Mentel, David Reimer, Franz Rohrer, Justin Shenolikar, Ralf Tillmann, Epameinondas Tsiligiannis, Rongrong Wu, Andreas Wahner, Astrid Kiendler-Scharr, Hendrik Fuchs, Atmos. Chem. Phys., 23, 3147-3180, 2023 |
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Label: |
alkoxy_4memberedring.txt |
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Text: |
Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants. |
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Notes: |
text/plain |