Step B in ozonolysis mechanism, IRC phase=2,9
DOI: 10.14469/hpc/7254 Metadata
Created: 2020-06-20 19:23
Last modified: 2020-06-21 05:50
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 828 | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 2MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 696KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 1KB | 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/CH2O2.CH2O/c1-3-2;1-2/h1H2;1H2 |
| inchikey | PVKQIZDGUFGMEB-UHFFFAOYSA-N |