boronic new, C...N formation Sheppards proposal C...N, reactants + 4H2O
DOI: 10.14469/hpc/1294 Metadata
Created: 2016-08-13 10:12
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 | 3KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 503KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 29MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 0 | chemical/x-cml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/312 | Amide |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C6H23B2N4.C2H3O2.4H2O/c1-7(9-3)12(6)8(2,10-4)11-5;1-2(3)4;;;;/h9-10,12H,11H2,1-6H3;1H3;4*1H2 |
| inchikey | SYYVFADZLYQREH-UHFFFAOYSA-N |