bis(t-but3)C- cyclopropylidene, G = -1135.426053, 2G = -2,270.852106
DOI: 10.14469/hpc/8743 Metadata
Created: 2021-08-18 06:36
Last modified: 2021-08-18 07:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| tbu.gjf | 5KB | chemical/x-gaussian-input | Gaussian input file |
| tbu.log | 5MB | chemical/x-gaussian-log | Gaussian log file |
| tbu.fchk | 14MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 11KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -1135.426053 |
| inchi | InChI=1S/C29H54/c1-22(2,3)28(23(4,5)6,24(7,8)9)20-19-21(20)29(25(10,11)12,26(13,14)15)27(16,17)18/h1-18H3 |
| inchikey | QQOZMUXQDIFMBA-UHFFFAOYSA-N |