FAIR Data table. Computed relative reaction free energies (kcal/mol-1) of Obtusallene derived oxonium and chloronium cations
DOI: 10.14469/hpc/1248 Metadata
Created: 2016-08-10 09:47
Last modified: 2022-08-27 11:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Co-author: Andrew White Co-author: D. Christopher Braddock Co-author: James Clarke
Description
Interactive FAIR data table, including relative transition state energies for a variety of reaction models, and persistent (DOI) URLs for the original data in a data repository. Please use with a JavaScript enabled Web browser.
Live view
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| blank.jpg | 5KB | image/jpeg | Background |
| N6_mo113.cub.xyz | 1KB | chemical/x-xyz | Coordinates |
| N9_mo111.cub.xyz | 1KB | chemical/x-xyz | Coordinates |
| N12_mo112.cub.xyz | 1KB | chemical/x-xyz | Coordinates |
| resolve-doi.js | 10KB | application/javascript | Data2DOI resolving script |
| N6_mo113-24559.jvxl | 10KB | chemical/x-jvxl | NBO isosurface |
| N12_mo112-24098.jvxl | 8KB | chemical/x-jvxl | NBO isosurface |
| N9_mo111-23044.jvxl | 7KB | chemical/x-jvxl | NBO isosurface |
| table.css | 1KB | text/css | Stylesheet |
| index.html | 10KB | text/html | Root document for interactive data table, V1 |
| index.html | 10KB | text/html | Root document for interactive data table, V2 |
| visible-hidden.js | 425 | application/javascript | Print workflow |
| index.html | 10KB | text/html | Root document for interactive data table, V3 |
| resolve-doi.js | 10KB | application/javascript | Data2DOI resolving script V2 |
| index.html | 10KB | text/html | Root document for interactive data table, V4 |
| resolve-doi.js | 10KB | application/javascript | Root document for interactive data table, V5 |
| index.html | 10KB | text/html | Replacing DataCite PIDs with Handle PID due to Tomcat error on server |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/1116 | Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/10059 | FAIR Data table. Computed relative reaction free energies (kcal/mol-1) of Obtusallene derived oxonium and chloronium cations in version based on data relocated to this repository. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchikey | DNPQGRWLJUJSGK-BBJWMDFFSA-N |