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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | tiafenacil_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33425093; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33489127; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33095902; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33138186; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33309349; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33103752; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90522360; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90311792; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90349030; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90337384; Eh |
Results 511-520 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type