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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_CONF576_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21635910; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF577_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21650517; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF512_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21567695; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF514_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21646409; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF503_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21452606; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21668736; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21660821; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF442_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21444875; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF446_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21319665; Eh |
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