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FAIR Data table. Computed relative reaction activation free energies for amidations of carboxylic acids using single-boron catalysts

DOI: 10.14469/hpc/3144 Metadata

Created: 2017-10-02 15:44

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

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.

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FilenameSizeTypeDescription
index.html 8KB text/html Old Root document for interactive data table
9a.gif 6MB image/gif Supporting files
3a.gif 5MB image/gif Supporting files
2a.gif 5MB image/gif Supporting files
7a.gif 5MB image/gif Supporting files
8a.gif 4MB image/gif Supporting files
6a.gif 4MB image/gif Supporting files
5a.gif 3MB image/gif Supporting files
4a.gif 2MB image/gif Supporting files
1a.gif 1MB image/gif Supporting files
amide-g.svg 257KB image/svg+xml Supporting files
amide1.svg 58KB image/svg+xml Supporting files
9E.svg 56KB image/svg+xml Supporting files
9G.svg 54KB image/svg+xml Supporting files
amide-f.svg 54KB image/svg+xml Supporting files
amide-e.svg 43KB image/svg+xml Supporting files
amide-c.svg 34KB image/svg+xml Supporting files
amide-d.svg 23KB image/svg+xml Supporting files
amide-b.svg 22KB image/svg+xml Supporting files
amide-a.svg 19KB image/svg+xml Supporting files
index.html 8KB text/html Old Root document
index.html 414 text/html FAIR Data table

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DOIDescription
10.14469/hpc/3143 A mechanistic insight into the boron-catalysed direct amidation reaction. Computational data for catalysts having only one boron atom.

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