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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | flumiclorac-pentyl_CONF76_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18328982; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18441925; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF649_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18239777; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF603_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18553276; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18473686; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF486_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18500594; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF483_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18468067; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18530119; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF340_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18604237; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF218_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18657977; Eh |
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