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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | lactofen_CONF209_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24311877; Eh | ||||
| 13-Mar-2025 | lactofen_CONF207_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24344639; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13673221; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13708393; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13696225; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13443271; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13679807; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13576967; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13685728; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13542414; Eh |
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