single, double, triple Cr-N bonds as anion in CDCl3
DOI: 10.14469/hpc/1983 Metadata
Created: 2016-12-16 14:19
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 | 1MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 71MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 6KB | chemical/x-cml | Optimised geometry |
wavefunction.wfn | 2MB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C6H5N.2C6H14N.Cr.N/c7-6-4-2-1-3-5-6;2*1-5(2)7-6(3)4;;/h1-5H;2*5-6H,1-4H3;;/q;2*-1;+2; |
inchikey | ZUEOOEOESADPEZ-UHFFFAOYSA-N |