3.2 - Regression Plots
DOI: 10.14469/hpc/9915 Metadata
Created: 2021-11-08 14:59
Last modified: 2022-05-21 09:36
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Regression plots at the considered levels. The dashed lines correspond to the linear regressions. The blue dots correspond to the trifluoro(4-fluorophenyl)borate, the orange dots correspond to the 2-2-3-3-4-4-5-5-octafluoropentan-1-ol, the golden dot corresponds to tris(2-2-2-trifluoroethyl) borate and the green dot to 1-fluoro-2-nitrobenzene.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Wb97xd:aug-cc-pvdz.eps | 35KB | application/postscript | Wb97xd/aug-cc-pvdz regression plot. |
| B3LYP:Def2svpp.eps | 35KB | application/postscript | B3LYP/Def2svpp regression plot. |
| Wb97xd:aug-PcSseq1.eps | 38KB | application/postscript | Wb97xd/aug-PcSseq1 regression plot. |
| MP2:aug-cc-pvdz.eps | 34KB | application/postscript | MP2/aug-cc-pvdz regression plot. |
| Wb97xd:Def2svpp.eps | 35KB | application/postscript | Wb97xd/Def2svpp regression plot. |
| B3LYP:aug-cc-pvdz.eps | 34KB | application/postscript | B3LYP/aug-cc-pvdz regression plot. |
| B3LYP+GD3BJ:aug-cc-pvdz.eps | 37KB | application/postscript | B3LYP+GD3BJ/aug-cc-pvdz regression plot. |
| B3LYP+GD3BJ:Def2svpp.eps | 36KB | application/postscript | B3LYP+GD3BJ/Def2svpp regression plot. |
| MP2-SCFGiao-inv.eps | 37KB | application/postscript | MP2/aug-cc-pvdz SCF GIAO regression plot. |
| MP2-inv.eps | 34KB | application/postscript | MP2/aug-cc-pvdz regression plot. Updated. |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/8772 | A computational tool to accurately and quickly predict 19F NMR shifts of molecules with fluorine-carbon and fluorine-boron bonds. |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/9913 | Plot-MP2-aug-cc-pvdz |