|
View: |
Part 1: Document Description
|
|
Citation |
|
|---|---|
|
Title: |
Replication Data for: Effect of the alkoxy radical chemistry on the ozone formation from anthropogenic organic compounds investigated in chamber experiments |
|
Identification Number: |
doi:10.26165/JUELICH-DATA/J2LHTQ |
|
Distributor: |
Jülich DATA |
|
Date of Distribution: |
2024-09-27 |
|
Version: |
1 |
|
Bibliographic Citation: |
Vereecken, Luc, 2024, "Replication Data for: Effect of the alkoxy radical chemistry on the ozone formation from anthropogenic organic compounds investigated in chamber experiments", https://doi.org/10.26165/JUELICH-DATA/J2LHTQ, Jülich DATA, V1 |
|
Citation |
|
|
Title: |
Replication Data for: Effect of the alkoxy radical chemistry on the ozone formation from anthropogenic organic compounds investigated in chamber experiments |
|
Identification Number: |
doi:10.26165/JUELICH-DATA/J2LHTQ |
|
Authoring Entity: |
Vereecken, Luc (Forschungszentrum Jülich GmbH) |
|
Distributor: |
Jülich DATA |
|
Access Authority: |
Vereecken, Luc |
|
Depositor: |
Vereecken, Luc |
|
Date of Deposit: |
2024-06-04 |
|
Study Scope |
|
|
Keywords: |
Chemistry, Earth and Environmental Sciences |
|
Abstract: |
Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ levels of theor, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ |
|
Methodology and Processing |
|
|
Sources Statement |
|
|
Data Access |
|
|
Other Study Description Materials |
|
|
Related Publications |
|
|
Citation |
|
|
Identification Number: |
10.1021/acsestair.4c00064 |
|
Bibliographic Citation: |
Effect of the alkoxy radical chemistry on the ozone formation from anthropogenic organic compounds investigated in chamber experiments M. Färber, H. Fuchs, B. Bohn, P. T. M. Carlsson, G. I. Gkatzelis, A. C. Marcillo Lara, . Rohrer, S. Wedel, A. Wahner, A. Novelli Environmental Science & Technology Air 1, 9, 1096–1111, 2024 |
|
Label: |
SI_hexane.txt |
|
Text: |
Quantum chemical data: geometries, wavenumbers, rotational constants, energies. |
|
Notes: |
text/plain |