Dataset

FZJ-2023-04310

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway

Vereecken, L. (Corresponding author)FZJ*

2023
Jülich DATA

This record in other databases:

Please use a persistent id in citations: doi:10.26165/JUELICH-DATA/9JVHEK

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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Contributing Institute(s):

1. Troposphäre (IEK-8)

Research Program(s):

1. 2111 - Air Quality (POF4-211) (POF4-211)

Appears in the scientific report 2023

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