12_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-6-218
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-218
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | beflubutamid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90467349; Eh | ||
 | beflubutamid_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90476025; Eh | ||
 | beflubutamid_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90383596; Eh | ||
 | beflubutamid_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90401298; Eh | ||
 | beflubutamid_CONF125_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90651709; Eh | ||
 | beflubutamid_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90555768; Eh | ||
 | beflubutamid_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90418683; Eh | ||
 | beflubutamid_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90445013; Eh | ||
 | beflubutamid_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90436434; Eh | ||
 | beflubutamid_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90370851; Eh | ||
 | beflubutamid_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90478432; Eh | ||
 | beflubutamid_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90380670; Eh | ||
 | beflubutamid_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90383669; Eh | ||
 | beflubutamid_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90482586; Eh | ||
 | beflubutamid_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90343286; Eh | ||
 | beflubutamid_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90354287; Eh | ||
 | beflubutamid_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90519642; Eh | ||
 | beflubutamid_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90477908; Eh | ||
 | beflubutamid_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90576620; Eh | ||
 | beflubutamid_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1300.90685251; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 520
Discover
Basis
Stoichiometry
- 220 C18H17F4NO2
- 79 C19H11F5N2O2
- 66 C12H10Cl2F3NO
- 48 C19H12F4N2O2
- 48 C19H14F3NO
- 39 C18H14F3NO2
- 20 C12H9ClF3N3O
Calculation type
Institution