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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Apr-2023 | flumiclorac-pentyl_CONF328_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21688029; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF327_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21685919; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF335_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21655598; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF334_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21664058; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF326_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21666508; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF332_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21689026; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF426_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21516071; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF427_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21528196; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF424_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21635333; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF313_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21722178; Eh |
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