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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_CONF273_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21537283; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF267_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21759056; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF265_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21460761; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21395383; 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_CONF276_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21453086; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF272_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21778594; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21474571; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF257_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21736743; Eh |
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