MeB(NHMe)3 + RCO2H IRC
DOI: 10.14469/hpc/704 Metadata
Created: 2016-07-05 08:48
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 9MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 0 | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 0 | chemical/x-cml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/312 | Amide |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C4H16BN3.C2H4O2/c1-5(6-2,7-3)8-4;1-2(3)4/h6-7H,8H2,1-4H3;1H3,(H,3,4) |
inchikey | VVIYFCVBEOWYNY-UHFFFAOYSA-N |