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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | fluthiacet-methyl_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14318513; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14326167; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14301387; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14292670; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14099317; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14131951; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14124882; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14309470; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14317764; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14100714; Eh |
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