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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Apr-2023 | fluthiacet-methyl_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.11357018; Eh | ||||
25-Apr-2023 | fluthiacet-methyl_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.11574139; Eh | ||||
25-Apr-2023 | fluthiacet-methyl_CONF124_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2327.11460574; Eh | ||||
25-Apr-2023 | flumioxazin_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.40333573; Eh | ||||
25-Apr-2023 | flumioxazin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.40335232; Eh | ||||
25-Apr-2023 | flumioxazin_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.37432532; Eh | ||||
25-Apr-2023 | flumioxazin_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.37491058; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20311409; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20406695; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20530211; Eh |
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- 5330 Single point