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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_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14138099; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14344576; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14334399; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14210976; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14142562; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14100566; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14341626; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14225848; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14323657; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14328244; Eh |
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