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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Rate coefficients of the H-migration in aldehydic peroxy radicals, and the reaction of the hydroxyl radical (OH) with unsaturated aldehydes |
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Identification Number: |
doi:10.26165/JUELICH-DATA/5TQA3S |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2026-08-17 |
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Version: |
1 |
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Bibliographic Citation: |
Vereecken, Luc, 2026, "Replication Data for: Rate coefficients of the H-migration in aldehydic peroxy radicals, and the reaction of the hydroxyl radical (OH) with unsaturated aldehydes", https://doi.org/10.26165/JUELICH-DATA/5TQA3S, Jülich DATA, V1 |
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Citation |
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Title: |
Replication Data for: Rate coefficients of the H-migration in aldehydic peroxy radicals, and the reaction of the hydroxyl radical (OH) with unsaturated aldehydes |
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Identification Number: |
doi:10.26165/JUELICH-DATA/5TQA3S |
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Authoring Entity: |
Vereecken, Luc (Forschungszentrum Jülich GmbH) |
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Software used in Production: |
Gaussian 16 |
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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: |
2026-04-13 |
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Study Scope |
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Keywords: |
Chemistry, Earth and Environmental Sciences |
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Abstract: |
This data set provides the raw quantumchemical data and population analysis for all reactant and transition state conformers for H-migration in aldehydic RO₂. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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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: |
10.1039/D6CP02262F |
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Bibliographic Citation: |
Rate coefficients of the H-migration in aldehydic peroxy radicals, and the reaction of the hydroxyl radical (OH) with unsaturated aldehydes, Hendrik Fuchs, Luc Vereecken, Florian Berg, Matthew M. Coggon, Chelsea E. Stockwell, Carsten Warneke, Anna Novelli, Phys. Chem. Chem. Phys. 2026 |
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Label: |
aldehyde_Hshift.txt |
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Text: |
Raw quantumchemical data and population analysis for all reactant and transition state conformers for H-migration in aldehydic RO₂. |
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Notes: |
text/plain |