DOI: 10.14469/hpc/7025 Metadata

Created: 2020-03-23 06:20

Last modified: 2020-04-29 09:36

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

Filename	Size	Type	Description
input.gjf	11KB	chemical/x-gaussian-input	Gaussian input file
gaussian.log	256KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	352MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
cml.xml	24KB	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/C70H114N2Si4/c1-41(2)53-33-57(45(9)10)65(58(34-53)46(11)12)73-75(67-61(49(17)18)37-55(43(5)6)38-62(67)50(19)20,68-63(51(21)22)39-56(44(7)8)40-64(68)52(23)24)74(76(73)71(69(25,26)27)31-32-72(76)70(28,29)30)66-59(47(13)14)35-54(42(3)4)36-60(66)48(15)16/h33-52H,31-32H2,1-30H3
inchikey	ITPAGONSDLVQFF-UHFFFAOYSA-N

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