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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_CONF519_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21545354; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF528_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21447842; 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_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21624742; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF516_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21537905; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF454_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21342373; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF451_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21628956; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21512317; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF459_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21542453; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF453_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21562705; Eh |
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- 5330 Single point