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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_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14107979; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14181565; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14407916; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14210898; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF192_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14286583; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14265390; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14281519; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14085674; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14367705; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14347840; Eh |
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