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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | lactofen_CONF327_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24114463; Eh | ||||
| 13-Mar-2025 | lactofen_CONF291_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24252327; Eh | ||||
| 13-Mar-2025 | lactofen_CONF293_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24260591; Eh | ||||
| 13-Mar-2025 | lactofen_CONF295_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24162523; Eh | ||||
| 13-Mar-2025 | lactofen_CONF280_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24165888; Eh | ||||
| 13-Mar-2025 | lactofen_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24236895; Eh | ||||
| 13-Mar-2025 | pyraflufen-ethyl_CONF52_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90183009; Eh | ||||
| 13-Mar-2025 | pyraflufen-ethyl_CONF421_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90299349; Eh | ||||
| 13-Mar-2025 | pyraflufen-ethyl_CONF343_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90589926; Eh | ||||
| 13-Mar-2025 | pyraflufen-ethyl_CONF352_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90578967; Eh |
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