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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | epyrifenacil_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31794903; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31937681; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.46106756; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.46027218; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.46092951; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF225_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11618344; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF240_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11972680; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF241_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11740189; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF224_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11724709; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF221_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11891596; Eh |
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