Me3N-CC zwitterion G=-250.189724
DOI: 10.14469/hpc/5639 Metadata
Created: 2019-05-16 10:21
Last modified: 2019-05-16 11:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 268KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 1MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 1KB | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
Gibbs_Energy | -250.189724 |
inchi | InChI=1S/C5H9N/c1-5-6(2,3)4/h2-4H3 |
inchikey | ZYDFEGANAPYXLC-UHFFFAOYSA-N |