methylsulfonylmethanetriol, G = -929.377603, DG = 11.8
DOI: 10.14469/hpc/14274 Metadata
Created: 2024-05-19 16:46
Last modified: 2024-05-21 07:16
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| trihydroxymethanesulfonyl.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| trihydroxymethanesulfonyl.log | 472KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 5MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 2KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -929.377603 |
| inchi | InChI=1S/C2H6O6S/c1-9(6,7)8-2(3,4)5/h3-5H,1H3 |
| inchikey | LXUZYXHEFFYDBD-UHFFFAOYSA-N |