bis(t-but3)C- cyclopropylidene, 2G = -2,270.853166
DOI: 10.14469/hpc/8727 Metadata
Created: 2021-08-17 12:36
Last modified: 2021-08-18 06:38
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 5KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 3MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 14MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 10KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -1135.426583 |
| 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 |