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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_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13793765; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF139_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13796913; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF137_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13767623; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13431903; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF127_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13596399; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13614879; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13668437; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13574365; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13539400; Eh | ||||
| 13-Mar-2025 | fluthiacet-methyl_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.13558342; Eh |
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