1,3-di-tert-butyl-1,3,2λ2-diazasilolidine, C2, singlet, G = -793.297197, compound 2a
DOI: 10.14469/hpc/6772 Metadata
Created: 2020-02-07 17:12
Last modified: 2020-04-29 09:38
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 868KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 6MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 4KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/6783 | Gaussian Calculations: Equilibrium Formation of Stable All-Silicon Versions of 1,3-Cyclobutandiyl |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -793.297197 |
| inchi | InChI=1S/C10H22N2Si/c1-9(2,3)11-7-8-12(13-11)10(4,5)6/h7-8H2,1-6H3 |
| inchikey | DTGACCGQKGAMJW-UHFFFAOYSA-N |