1,2,2,3-tetrakis(2,4,6-triisopropylphenyl)-2H-trisilirene, C2, G = -3210.135309, compound 1.
DOI: 10.14469/hpc/6775 Metadata
Created: 2020-02-13 16:52
Last modified: 2020-04-27 16:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 9KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 6MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 0 | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 18KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
| checkpoint.fchk | 124MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file, V2 |
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 | -3210.135309 |
| inchi | InChI=1S/C60H92Si3/c1-33(2)45-25-49(37(9)10)57(50(26-45)38(11)12)61-62(58-51(39(13)14)27-46(34(3)4)28-52(58)40(15)16)63(61,59-53(41(17)18)29-47(35(5)6)30-54(59)42(19)20)60-55(43(21)22)31-48(36(7)8)32-56(60)44(23)24/h25-44H,1-24H3 |
| inchikey | ILMLYUGPFWPFJD-UHFFFAOYSA-N |