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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway |
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Identification Number: |
doi:10.26165/JUELICH-DATA/9JVHEK |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2023-07-10 |
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Version: |
1 |
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Bibliographic Citation: |
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 |
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Citation |
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Title: |
Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway |
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Identification Number: |
doi:10.26165/JUELICH-DATA/9JVHEK |
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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: |
2022-10-24 |
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Study Scope |
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Keywords: |
Chemistry, Earth and Environmental Sciences |
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Abstract: |
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 |
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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-23-7297-2023 |
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Bibliographic Citation: |
Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway, H. Luo, L. Vereecken, H. Shen, S. Kang, I. Pullinen, M. Hallquist, H. Fuchs, A. Wahner, A. Kiendler-Scharr, T. F Mentel, D. Zhao, Atmospheric Chemistry and Physics, 23, 297-7319, 2023 |
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Label: |
Quantumchemical_data.txt |
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Text: |
Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants. |
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Notes: |
text/plain |