3_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-6-221
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-221
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | benefin_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66179698; Eh | ||
 | benefin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66071222; Eh | ||
 | benefin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66194430; Eh | ||
 | benefin_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66366736; Eh | ||
 | benefin_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66374799; Eh | ||
 | benefin_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66371028; Eh | ||
 | benefin_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66061227; Eh | ||
 | benefin_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.65920078; Eh | ||
 | benefin_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66085062; Eh | ||
 | benefin_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66083857; Eh | ||
 | benefin_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66236169; Eh | ||
 | benefin_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.65942428; Eh | ||
 | benefin_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66059541; Eh | ||
 | benefin_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66179965; Eh | ||
 | benefin_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66070879; Eh | ||
 | benefin_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66093655; Eh | ||
 | benefin_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66084662; Eh | ||
 | benefin_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66250654; Eh | ||
 | benefin_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.65770150; Eh | ||
 | benefin_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1269.66081900; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 979
Discover
Basis
Stoichiometry
- 169 C13H21N2O4PS
- 126 C16H17F5N2O2S
- 122 C13H16F3N3O4
- 104 C10H14Cl2NO2PS
- 91 C15H16F5NO2S2
- 83 C14H21N3O4
- 73 C13H19N3O4
- 56 C12H18N4O6S
- 55 C13H17F3N4O4
- 42 C13H14F3N3O4
- next >
Calculation type
Institution