(R)-2-(phenyl)-5-phenyl-1,3,2-dioxaborolan-4-one, chloroform
DOI: 10.14469/hpc/3903 Metadata
Created: 2018-03-14 07:10
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 731KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 17MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 3KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3900 | The use of 11B NMR for identifying reaction intermediates. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C14H11BO3/c16-14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h1-10,13H/t13-/m1/s1 |
| inchikey | YYGJUGLOYYPZFE-CYBMUJFWSA-N |