Tetramethylethene NEDA=2 0,1 0,3 0,-3 Total Interaction (E) : -176.997
DOI: 10.14469/hpc/15465 Metadata
Created: 2025-08-13 09:48
Last modified: 2025-08-13 10:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| tetramethylethene.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| tetramethylethene.log | 525KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 6MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 2KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 33MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15463 | Energy decomposition analysis of hindered alkenes: Tetra-tert-butyl ethene and others. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3 |
| inchikey | WGLLSSPDPJPLOR-UHFFFAOYSA-N |