I_Fungicides
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-6-202
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-202
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | carpropamid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11038344; Eh | ||
 | carpropamid_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11025267; Eh | ||
 | carpropamid_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10675544; Eh | ||
 | carpropamid_CONF106_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10674732; Eh | ||
 | carpropamid_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10686551; Eh | ||
 | carpropamid_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11029623; Eh | ||
 | carpropamid_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10686302; Eh | ||
 | carpropamid_CONF113_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10691034; Eh | ||
 | carpropamid_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10689339; Eh | ||
 | carpropamid_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10689725; Eh | ||
 | carpropamid_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11041125; Eh | ||
 | carpropamid_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11021890; Eh | ||
 | carpropamid_CONF130_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10719849; Eh | ||
 | carpropamid_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.10722167; Eh | ||
 | carpropamid_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11029463; Eh | ||
 | carpropamid_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11031804; Eh | ||
 | carpropamid_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11034357; Eh | ||
 | carpropamid_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11023249; Eh | ||
 | carpropamid_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11031115; Eh | ||
 | carpropamid_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2093.11054805; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 1248
Discover
Basis
Stoichiometry
- 568 C16H21F3N2O3
- 284 C15H18Cl3NO
- 203 C15H18Cl2N2O2
- 175 C15H18Cl2N2O
- 6 C11H11NO
- 6 C8H2Cl4O2
- 6 C9H7N3S
Calculation type
Institution