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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_CONF259_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21654820; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21539036; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF193_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21652042; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21587237; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21472129; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21800612; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21517183; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21470872; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21775778; Eh | ||||
| 13-Mar-2025 | flumiclorac-pentyl_CONF177_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21796397; Eh |
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