FAIR Data Table S2. Computed energies for model systems as a system calibration
DOI: 10.14469/hpc/7721 Metadata
Created: 2020-12-24 06:46
Last modified: 2022-08-31 10:42
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Interactive table
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Files
| Filename | Size | Type | Description |
|---|---|---|---|
| resolve-doi.js | 10KB | application/javascript | DOI Resolver |
| table.css | 1KB | text/css | Stylesheet |
| FigureS2.svg | 27KB | image/svg+xml | Reaction scheme |
| index.html | 10KB | text/html | Root document, V1 |
| index.html | 11KB | text/html | Root document, V2 |
| index.html | 11KB | text/html | Root document, V3 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7719 | Supplementary Tables S1 and S2 for Routes involving no free C2 in a DFT-computed mechanistic model for the reported room-temperature chemical synthesis of C2. |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/7185 | A Thermodynamic assessment of the reported room-temperature chemical synthesis of C2 |
| References | 10.14469/hpc/7199 | Energies/Enthalpies for HCCH => HCC• + H• => CC + H• CCSD(T)/Def2-TZVPP and Def2-TZVPPD |