(t-butyl)3PF2 freq
DOI: 10.14469/hpc/3105 Metadata
Created: 2017-09-24 08:20
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 | 3KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 357KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 3MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 5KB | application/xml | Optimised geometry |
wavefunction.wfn | 549KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C12H27F2P/c1-10(2,3)15(13,14,11(4,5)6)12(7,8)9/h1-9H3 |
inchi | InChI=1S/C4H9F2P.2C4H9/c1-4(2,3)7(5)6;2*1-4(2)3/h1-3H3;2*1-3H3 |
inchi | InChI=1S/C12H27F2P/c1-10(2,3)15(13,14,11(4,5)6)12(7,8)9/h1-9H3 |
inchikey | KGAIPYOGHPWVJW-UHFFFAOYSA-N |
inchikey | BRWPMYDSHMRBFI-UHFFFAOYSA-N |
inchikey | KGAIPYOGHPWVJW-UHFFFAOYSA-N |