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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_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14213303; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14328726; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14243215; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14292516; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14249646; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14158337; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14295270; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14214904; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14157133; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.14079830; Eh |
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