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: 2020-02-06 14:00

Author: Henry Rzepa

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.

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FilenameSizeTypeDescription
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

Member of collection / collaboration

DOIDescription
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

Subject Keywords

KeywordValue
inchikey DNPQGRWLJUJSGK-BBJWMDFFSA-N

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