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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_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21478388; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF276_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21453086; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF305_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21428944; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF303_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21486187; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21791599; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF292_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21752491; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF279_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21523254; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF309_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21768932; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF307_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21588415; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF285_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21739595; Eh |
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- 5330 Single point