4.1 - Conformational analysis of 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
DOI: 10.14469/hpc/10395 Metadata
Created: 2022-04-26 13:31
Last modified: 2022-05-21 09:36
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
This archive contains all the caculations relative to the Rotamers and stereoelectronic calculations.
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/10474 | Rotamers 121 to 130 |
| 10.14469/hpc/10493 | Rotamer 63 |
| 10.14469/hpc/10505 | Rotamers 11 to 20 |
| 10.14469/hpc/10494 | Rotamers 141 to 150 |
| 10.14469/hpc/10506 | Rotamers 11 to 20 |
| 10.14469/hpc/10476 | Rotamers 81 to 90 |
| 10.14469/hpc/10507 | Rotamers 21 to 31 |
| 10.14469/hpc/10495 | Rotamers 151 to 160 |
| 10.14469/hpc/10508 | Rotamers 211 to 220 |
| 10.14469/hpc/10414 | Rotamers 2 to 10 |
| 10.14469/hpc/10477 | Rotamers 131 to 140 |
| 10.14469/hpc/10504 | List of the populations of the various rotamers of 2,2,3,3,4,4,5,5-octafluoropentan-1-ol in Chloroform at 298.15 K |
| 10.14469/hpc/10496 | Rotamers 181 to 190 |
| 10.14469/hpc/10497 | Rotamers 191 to 200 |
| 10.14469/hpc/10450 | Rotamers 161 to 170 |
| 10.14469/hpc/10457 | Rotamers 41 to 50 |
| 10.14469/hpc/10479 | Rotamer 94 |
| 10.14469/hpc/10458 | Rotamer 1 |
| 10.14469/hpc/10480 | Rotamer 125 |
| 10.14469/hpc/10469 | Rotamers 101 to 110 |
| 10.14469/hpc/10500 | Rotamers 171 to 180 |
| 10.14469/hpc/10470 | Rotamers 111 to 120 |
| 10.14469/hpc/10453 | Rotamers 221 to 230 |
| 10.14469/hpc/10471 | Rotamers 91 to 100 |
| 10.14469/hpc/10454 | Rotamers 231 to 243 |
| 10.14469/hpc/10472 | Rotamers 51 to 60 |
| 10.14469/hpc/10455 | Rotamers 201 to 210 |
| 10.14469/hpc/10473 | Rotamers 61 to 70 |
| 10.14469/hpc/10456 | Rotamers 71 to 80 |