FAIR Data table. Computed relative reaction free energies (kcal/mol-1) of Obtusallene derived oxonium and chloronium cations
DOI: 10.14469/hpc/10059 Metadata
Created: 2022-01-19 12:20
Last modified: 2022-01-24 15:20
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
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Files
| Filename | Size | Type | Description |
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| index.html | 10KB | text/html | Files |
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| N9_mo111-23044.jvxl | 7KB | chemical/x-jvxl | JVXL isosurface files |
| N12_mo112-24098.jvxl | 8KB | chemical/x-jvxl | JVXL isosurface files |
| N6_mo113-24559.jvxl | 10KB | chemical/x-jvxl | JVXL isosurface files |
| N12_mo112.cub.xyz | 1KB | chemical/x-xyz | JVXL isosurface files |
| N9_mo111.cub.xyz | 1KB | chemical/x-xyz | JVXL isosurface files |
| N6_mo113.cub.xyz | 1KB | chemical/x-xyz | JVXL isosurface files |
| index.html | 10KB | text/html | V4 |
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Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10062 | Relocation of Computational data for 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 | 10.1021/acs.joc.6b02008 | Published article |
| References | 10.14469/hpc/1248 | Not functioning because of METS/ORE resolutions |