15_herbicides
CC-BY-4.0
The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-199
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-199
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | acetochlor_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02674687; Eh | ||
 | acetochlor_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02800856; Eh | ||
 | acetochlor_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02689902; Eh | ||
 | acetochlor_CONF103_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02689681; Eh | ||
 | acetochlor_CONF107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02687350; Eh | ||
 | acetochlor_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02684845; Eh | ||
 | acetochlor_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02710697; Eh | ||
 | acetochlor_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02679338; Eh | ||
 | acetochlor_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02464978; Eh | ||
 | acetochlor_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02759509; Eh | ||
 | acetochlor_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02706752; Eh | ||
 | acetochlor_CONF123_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02689979; Eh | ||
 | acetochlor_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02556127; Eh | ||
 | acetochlor_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02503911; Eh | ||
 | acetochlor_CONF142_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02442236; Eh | ||
 | acetochlor_CONF143_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02442334; Eh | ||
 | acetochlor_CONF144_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02558857; Eh | ||
 | acetochlor_CONF146_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02450433; Eh | ||
 | acetochlor_CONF147_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02602064; Eh | ||
 | acetochlor_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1211.02438672; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 9512
Discover
Basis
Stoichiometry
- 2840 C17H26ClNO2
- 769 C14H21NOS
- 643 C10H21NOS
- 566 C14H28NO3PS2
- 565 C15H22ClNO2
- 525 C16H22ClNO2
- 388 C15H23NOS
- 350 C16H22N4O3S
- 339 C12H16ClNOS
- 317 C14H20ClNO2
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Calculation type
Institution