C4_C8_Fungicide
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-6-174
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-174
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | ametoctradin_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.50822465; Eh | ||
 | ametoctradin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.50886497; Eh | ||
 | ametoctradin_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51360825; Eh | ||
 | ametoctradin_CONF1000_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51113917; Eh | ||
 | ametoctradin_CONF1001_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51108234; Eh | ||
 | ametoctradin_CONF1002_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51174399; Eh | ||
 | ametoctradin_CONF1003_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51114146; Eh | ||
 | ametoctradin_CONF1004_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51158131; Eh | ||
 | ametoctradin_CONF1005_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51250919; Eh | ||
 | ametoctradin_CONF1006_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51127846; Eh | ||
 | ametoctradin_CONF1007_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51127531; Eh | ||
 | ametoctradin_CONF1008_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51117139; Eh | ||
 | ametoctradin_CONF1009_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51117640; Eh | ||
 | ametoctradin_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51367240; Eh | ||
 | ametoctradin_CONF1010_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51110227; Eh | ||
 | ametoctradin_CONF1011_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51127697; Eh | ||
 | ametoctradin_CONF1013_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51111844; Eh | ||
 | ametoctradin_CONF1014_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51163474; Eh | ||
 | ametoctradin_CONF1015_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51114006; Eh | ||
 | ametoctradin_CONF1016_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -860.51142278; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 7217
Discover
Basis
Stoichiometry
- 4852 C15H25N5
- 1844 C18H24N2O6
- 241 C13H13BrFN5O4S2
- 106 C13H21NOSiS
- 73 C15H18N2O6
- 53 C31H38N2O11
- 29 C13H13ClN4O2S
- 19 C13H4Cl2F6N4O4
Calculation type
Institution