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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_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31244987; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31330148; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31226594; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31293067; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31289561; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21631819; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF769_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21451983; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF617_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21755281; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21448079; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF356_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21660848; Eh |
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