S(SR)4

DOI: 10.14469/hpc/3766 Metadata

Created: 2018-03-05 15:30

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 1MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 14MB 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

DOIDescription
10.14469/hpc/3724 Hypervalent or not? A fluxional triselenide.

Subject Keywords

KeywordValue
inchi InChI=1S/C2H4N2S5/c3-1-5-9(6-1)7-2(4)8-9/h3-4H2
inchi InChI=1S/C2H4N2S5/c3-1-5-6(1)9(5)7-2(4)8(7)9/h3-4H2
inchi InChI=1S/C2H4N2S5/c3-1-5-9(6-1)7-2(4)8-9/h3-4H2
inchikey LINUACIFYXPUDB-UHFFFAOYSA-N
inchikey LULZOJVDRYQNCL-UHFFFAOYSA-N
inchikey LINUACIFYXPUDB-UHFFFAOYSA-N

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