Cyclopenylium cation- cyclopentadienylium anion in water
DOI: 10.14469/hpc/2442 Metadata
Created: 2017-04-09 11:26
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 | 354KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 7MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 2KB | chemical/x-cml | Optimised geometry |
| wavefunction.wfn | 301KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C5H5.C3H3/c1-2-4-5-3-1;1-2-3-1/h1-5H;1-3H |
| inchi | InChI=1S/C8H8/c1-3-4-2-8(1)7(10(8)9-8)5(3)6(4)7/h1-6H/t3-,4+,5-,6+,7+ |
| inchi | InChI=1S/C5H5.C3H3/c1-2-4-5-3-1;1-2-3-1/h1-5H;1-3H |
| inchikey | NBEBZZUVXOZWPH-UHFFFAOYSA-N |
| inchikey | KEJVLCMMLLHDPV-GGTDAZAQSA-N |
| inchikey | NBEBZZUVXOZWPH-UHFFFAOYSA-N |