RhB
DOI: 10.14469/hpc/10665 Metadata
Created: 2022-07-11 23:39
Last modified: 2022-07-12 00:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
RhB.gjf | 314 | chemical/x-gaussian-input | Gaussian input file |
RhB.log | 172KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 394KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
opt.cml | 378 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/B.Rh |
inchikey | HRLKCXAESXEITQ-UHFFFAOYSA-N |