Data · dataset · 2022
Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions
Listed in Jülich DATA
Selected quantum chemical data is available on all SCI, transition states and products discussed in this work.
Description
This includes geometries, moments of inertia for molecular rotation, vibrational wavenumbers, zero point energies, potential energies at various levels of theory, and T1 diagnostics.
Links
Where it is published
- Dataverse dataset page data.fz-juelich.de/dataset.xhtml?persistentId=doi%3A10.26165%2FJUELICH-DATA%2FMCZ… ↗
landing page · from data fz juelich de
- DOI doi.org/10.26165/juelich-data/mczdgs ↗
DOI / persistent id · from data fz juelich de
Catalogue records · 1
- Dataverse API data.fz-juelich.de/api/datasets/:persistentId/?persistentId=doi%3A10.26165%2FJUEL… ↗
metadata API · from data fz juelich de
Topics
- Stated by source
- Chemistry · Earth and Environmental Sciences
- From keywords
- Chemistry · Earth & Environmental Science · Engineering · Life Sciences
Provenance · 1 source records, 12 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Jülich DATA | doi:10.26165/JUELICH-DATA/MCZDGS | 14 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].dataverse_subject:chemistry | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /subjects |
| concepts[field].dataverse_subject:earth-and-environmental-sciences | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /subjects |
| concepts[field].local:field:earth-environmental | mapping · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /subjects |
| concepts[field].local:field:life-sciences | mapping · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /subjects |
| created_date | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | |
| description | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /description |
| publication_date | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | |
| title | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | /name |
| updated_date | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 | |
| version_label | source · data fz juelich de | connector:data_fz_juelich_de@1.0.0 |