imine pi + DMDO

DOI: 10.14469/hpc/1751 Metadata

Created: 2016-10-06 19:15

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 1KB chemical/x-gaussian-input Gaussian input file
gaussian.log 281KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 2MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 2KB chemical/x-cml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
inchi InChI=1S/C4H9NO2/c1-4(2,6)7-3-5/h5H,3H2,1-2H3
inchi InChI=1S/C4H9NO2/c1-4(2,6)7-3-5-7/h5H,3H2,1-2H3
inchi InChI=1S/C4H9NO2/c1-4(2,6)7-3-5/h5H,3H2,1-2H3
inchikey YVRLIHWNYXQUHK-UHFFFAOYSA-N
inchikey Try -H option for more information.
inchikey YVRLIHWNYXQUHK-UHFFFAOYSA-N
inchikey VCFCGBHPFJPOTL-UHFFFAOYSA-N

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