Li3 + wfn
DOI: 10.14469/hpc/2158 Metadata
Created: 2017-02-13 07:53
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 | 385 | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 78KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 98KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 423 | chemical/x-cml | Optimised geometry |
wavefunction.wfn | 7KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/3Li |
inchikey | FUXWSNBUHAEWQU-UHFFFAOYSA-N |