DOI: 10.14469/hpc/7158 Metadata

Created: 2020-04-30 05:19

Last modified: 2020-05-01 05:35

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

Filename	Size	Type	Description
input.gjf	9KB	chemical/x-gaussian-input	Gaussian input file
gaussian.log	119KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	189MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
cml.xml	20KB	application/xml	Optimised geometry
wavefunction.wfn	0	chemical/x-gaussian-wavefunction	'Wavefunction'

Member of collection / collaboration

DOI	Description
10.14469/hpc/6783	Gaussian Calculations: Equilibrium Formation of Stable All-Silicon Versions of 1,3-Cyclobutandiyl

Subject Keywords

Keyword	Value
inchi	InChI=1S/C60H92Si3/c1-33(2)45-25-49(37(9)10)57(50(26-45)38(11)12)61-62(58-51(39(13)14)27-46(34(3)4)28-52(58)40(15)16)63(61,59-53(41(17)18)29-47(35(5)6)30-54(59)42(19)20)60-55(43(21)22)31-48(36(7)8)32-56(60)44(23)24/h25-44H,1-24H3
inchikey	ILMLYUGPFWPFJD-UHFFFAOYSA-N

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