Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF72_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49349126; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF183_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99775084; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF192_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99760559; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF202_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99729814; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2077_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99411776; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF218_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99890106; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99710833; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2355_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99988102; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF237_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99753308; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF238_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99695646; Eh |
Results 3721-3730 of 4613 (Search time: 0.002 seconds).
Discover
Calculation type