[20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4s trans D2 symmetry dianion saddle=3 NICS water
DOI: 10.14469/hpc/7495 Metadata
Created: 2020-10-11 17:57
Last modified: 2020-10-18 07:28
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 86KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 52MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 0 | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |