DOI: 10.14469/hpc/14420 Metadata

Created: 2024-07-09 16:07

Last modified: 2024-11-25 09:32

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

null

Files

FilenameSizeTypeDescription
TS5-4.gjf 2KB chemical/x-gaussian-input Gaussian input file
TS5-4.log 8MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 20MB 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
TS5_tot_ener.svg 127KB image/svg+xml IRC Energy response

Member of collection / collaboration

DOIDescription
10.14469/hpc/14521 Rzepa13

Edit