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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds |
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Identification Number: |
doi:10.26165/JUELICH-DATA/GLU9BW |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2022-09-21 |
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Version: |
1 |
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Bibliographic Citation: |
Vereecken, Luc, 2022, "Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds", https://doi.org/10.26165/JUELICH-DATA/GLU9BW, Jülich DATA, V1 |
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Citation |
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Title: |
Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds |
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Identification Number: |
doi:10.26165/JUELICH-DATA/GLU9BW |
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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: |
2022-01-18 |
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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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Bibliographic Citation: |
Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds H. Shen, L. Vereecken, S. Kang, I. Pullinen, H. Fuchs, D. Zhao, T. F. Mentel Science Advances, accepted for publication, 2022 |
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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 |