Imidazolium NMR(spinspin,mixed)
DOI: 10.14469/hpc/5912 Metadata
Created: 2019-06-24 10:45
Last modified: 2019-06-24 11:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 110KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 7MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 2KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3 |
| inchi | InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3/q+1 |
| inchi | InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3 |
| inchikey | ODJKHOBNYXJHRG-UHFFFAOYSA-N |
| inchikey | HVVRUQBMAZRKPJ-UHFFFAOYSA-N |
| inchikey | ODJKHOBNYXJHRG-UHFFFAOYSA-N |