Molnupiravir, oxime form G = -1197.923694 NICS
DOI: 10.14469/hpc/7987 Metadata
Created: 2021-03-10 12:03
Last modified: 2021-03-18 17:12
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 | 86KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 62MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 0 | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7990 | The small-molecule antiviral compound Molnupiravir: an exploration of its tautomers. |