Na2He Wiberg bond orders

DOI: 10.14469/hpc/2523 Metadata

Created: 2017-05-05 10:31

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 5KB chemical/x-gaussian-input Gaussian input file
gaussian.log 7MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 0 chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 5KB chemical/x-cml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3587 Hypervalent helium

Subject Keywords

KeywordValue
inchi InChI=1S/20He.40Na
inchikey NCKPUHPHDIODQW-UHFFFAOYSA-N

Edit