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Nov 24, 2022
Vereecken, Luc, 2022, "Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation", https://doi.org/10.26165/JUELICH-DATA/YWB5P1, Jülich DATA, V1
Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ |
Plain Text - 70.8 KB - SHA-256: a30126c53d2ecf6ff71c9259e68b9a4fa7e559ebd32e685134318d88c15106e0
Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants. |
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