Ne-Ar WFN
DOI: 10.14469/hpc/3545 Metadata
Created: 2017-12-28 10:45
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 293 | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 13KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 300KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 307 | application/xml | Optimised geometry |
wavefunction.wfn | 31KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/3252 | VSEPR Theory: Octet-busting or not with trimethyl chlorine, ClMe3. |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/Ar.Ne |
inchikey | JXBFBSYDINUVRE-UHFFFAOYSA-N |