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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_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31909866; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32029172; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32020518; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.28765337; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10469280; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10603751; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10497127; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10559437; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10436859; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF310_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10834818; Eh |
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