29_herbicides
CC-BY-4.0
The original dataset source can be reviewed here
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | chlorthiamid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1643.15412033; Eh | ||
 | chlorthiamid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1643.17541714; Eh | ||
 | chlorthiamid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1643.16917919; Eh | ||
 | dichlobenil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1243.72121852; Eh | ||
 | dichlobenil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1243.73264061; Eh | ||
 | dichlobenil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1243.72654792; Eh | ||
 | flupoxam_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54166760; Eh | ||
 | flupoxam_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54299581; Eh | ||
 | flupoxam_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54099811; Eh | ||
 | flupoxam_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54106661; Eh | ||
 | flupoxam_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.53996999; Eh | ||
 | flupoxam_CONF109_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54005490; Eh | ||
 | flupoxam_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.53821428; Eh | ||
 | flupoxam_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.53990603; Eh | ||
 | flupoxam_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54004976; Eh | ||
 | flupoxam_CONF113_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54078737; Eh | ||
 | flupoxam_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.53983873; Eh | ||
 | flupoxam_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.53825340; Eh | ||
 | flupoxam_CONF120_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54301240; Eh | ||
 | flupoxam_CONF121_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2061.54330361; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 1763
Discover
Basis
Stoichiometry
- 608 C19H14ClF5N4O2
- 442 C17H24FN5O
- 423 C18H24N2O4
- 278 C16H20FN5
- 6 C7H3Cl2N
- 6 C7H5Cl2NS
Calculation type
Institution