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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_CONF323_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21666703; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF312_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21658360; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF319_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21716870; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF317_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21339856; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF310_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21530708; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF321_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21683180; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21569523; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF316_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21260236; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF306_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21508964; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21551297; Eh |
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