SOBWAH, XeF5
DOI: 10.14469/hpc/1249 Metadata
Created: 2016-08-10 13:01
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 | 10KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 155KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 10MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 2KB | chemical/x-cml | Optimised geometry |
wavefunction.wfn | 910KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C4H12N.5F.Xe/c1-5(2,3)4;;;;;;/h1-4H3;;;;;; |
inchikey | LUFYBIKHMFFMGD-UHFFFAOYSA-N |