DOI: 10.14469/hpc/13565 Metadata

Created: 2024-01-05 08:58

Last modified: 2024-01-06 11:20

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
Rh-OA-2.gjf	946	chemical/x-gaussian-input	Gaussian input file
Rh-OA-2.log	2MB	chemical/x-gaussian-log	Gaussian log file
Rh-OA.fchk	3MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	1KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	8MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/13538	Wilkinson

Associated DOIs

Current dataset ...	DOI	Description
References	10.14469/hpc/13559	TS

Subject Keywords

Keyword	Value
inchi	InChI=1S/ClH.2H3P.Rh.2H/h1H;2*1H3;;;/q;;;-1;;/p+1
inchikey	LXAZYGVLEHYYAN-UHFFFAOYSA-O

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