DOI: 10.14469/hpc/14408 Metadata

Created: 2024-07-07 06:31

Last modified: 2024-11-25 09:39

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

null

Files

Filename	Size	Type	Description
TS3+NH4-3-6-2.gjf	2KB	chemical/x-gaussian-input	Gaussian input file
TS3+NH4-3-6-2.log	7MB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	24MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	4KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	41MB	chemical/x-rawbinaryarray	Raw Binary Array File
TS3_rel_ener.svg	107KB	image/svg+xml	IRC Energy response

Member of collection / collaboration

DOI	Description
10.14469/hpc/14521	Rzepa13

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