(t-Bu)4C QEMJOH
DOI: 10.14469/hpc/8719 Metadata
Created: 2021-08-16 11:04
Last modified: 2021-08-16 12:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| tetra-tbutyl-methane.gjf | 3KB | chemical/x-gaussian-input | Gaussian input file |
| tetra-tbutyl-methane.log | 974KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 7MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 7KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -668.192844 |
| inchi | InChI=1S/C17H36/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3 |
| inchikey | CHNAIAPYMXIYRV-UHFFFAOYSA-N |