Computed relative reaction free energies of Obtusallene derived oxonium and chloronium cations
DOI: 10.14469/hpc/1143 Metadata
Created: 2016-07-29 10:13
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Computed relative reaction free energies of Obtusallene derived oxonium and chloronium cations
Live view
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| scheme.jpg | 21KB | image/jpeg | Data files and scripts |
| blank.jpg | 5KB | image/jpeg | Data files and scripts |
| JSmol.min.js | 228KB | application/javascript | Data files and scripts |
| N6_mo113.cub.xyz | 1KB | chemical/x-xyz | Data files and scripts |
| N9_mo111.cub.xyz | 1KB | chemical/x-xyz | Data files and scripts |
| N12_mo112.cub.xyz | 1KB | chemical/x-xyz | Data files and scripts |
| resolve-api.js | 12KB | application/javascript | Data files and scripts |
| resolve-css.js | 10KB | application/javascript | Data files and scripts |
| N6_mo113-24559.jvxl | 10KB | chemical/x-jvxl | Data files and scripts |
| Index.html | 9KB | text/html | Data files and scripts |
| N12_mo112-24098.jvxl | 8KB | chemical/x-jvxl | Data files and scripts |
| N9_mo111-.23044.jvxl | 7KB | chemical/x-jvxl | Data files and scripts |
| help.html | 6KB | text/html | Data files and scripts |
| table.css | 1KB | text/css | Data files and scripts |
| jmol-float.js | 1KB | application/javascript | Data files and scripts |
| jmol-setup.js | 1KB | application/javascript | Data files and scripts |
| visible-hidden.js | 634 | application/javascript | Data files and scripts |
| index.html | 9KB | text/html | Root document |
| index.html.1 | 10KB | text/html | Root document 1 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/1115 | These are datasets which have been superseded in some sense, or even created in error. They are here assigned the collection name NULL. Caveat emptor! |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C13H21BrClO3.BF4/c1-7-5-11-10(15)4-3-9(14)6-12(18-11)13(16)8(2)17-7;2-1(3,4)5/h3,7-13,16H,4-6H2,1-2H3;/t7-,8+,9-,10-,11-,12-,13+;/m1./s1 |
| inchikey | DNPQGRWLJUJSGK-BBJWMDFFSA-N |