Me3Si-CC(+) G=-484.886741 100A =-9.7
DOI: 10.14469/hpc/5643 Metadata
Created: 2019-05-17 19:22
Last modified: 2019-05-17 20:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 4MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 1KB | 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 | -484.886741 |
inchi | InChI=1S/C3H9Si.C2/c1-4(2)3;1-2/h1-3H3; |
inchikey | NCZJPWOJXRPEEJ-UHFFFAOYSA-N |