DOI: 10.14469/hpc/13536 Metadata

Created: 2023-12-30 08:46

Last modified: 2023-12-30 09:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
sr.gjf	58KB	chemical/x-gaussian-input	Gaussian input file
sr.log	130MB	chemical/x-gaussian-log	Gaussian log file
opt.cml	196KB	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/13532	Molecules of the year 2023.

Subject Keywords

Keyword	Value
inchi	InChI=1S/18C26H48Si2.18Sr/c18*1-19(2)27(20(3)4,21(5)6)25-15-13-14-16-26(18-17-25)28(22(7)8,23(9)10)24(11)12;;;;;;;;;;;;;;;;;;/h18*13-24H,1-12H3;;;;;;;;;;;;;;;;;;/b6*18-17-,25-15+,26-16+;2*15-13-,25-17+,26-18+;2*14-13-,25-15+,26-16+;;;;;;;;;;;;;;;;;;;;;;;;;;
inchikey	IFJHDRBDEFUVJH-YNZQBQGXSA-N

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