NbF
DOI: 10.14469/hpc/10667 Metadata
Created: 2022-07-12 01:00
Last modified: 2022-07-21 08:34
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
NbF.gjf | 314 | chemical/x-gaussian-input | Gaussian input file |
NbF.log | 151KB | 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/FH.Nb/h1H;/q;+1/p-1 |
inchikey | BVVRDUYYHIBIRQ-UHFFFAOYSA-M |