AsH4 radical WFN

DOI: 10.14469/hpc/3409 Metadata

Created: 2017-12-08 19:06

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 480 chemical/x-gaussian-input Gaussian input file
gaussian.log 422KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 648KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 734 application/xml Optimised geometry
wavefunction.wfn 62KB chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3372 Expanded Rydberg-shell Hypervalency

Subject Keywords

KeywordValue
inchi InChI=1S/AsH3.H/h1H3;
inchi InChI=1S/AsH5/h1H5
inchi InChI=1S/AsH3.H/h1H3;
inchikey SCYFVZXMHHYVLO-UHFFFAOYSA-N
inchikey FFBCLZHRHDRKFK-UHFFFAOYSA-N
inchikey SCYFVZXMHHYVLO-UHFFFAOYSA-N

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