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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | desmedipham_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.91328472; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.90747786; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF19_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.90717774; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.90369963; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF43_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.90395731; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.90622549; Eh | |||
 | 10-Oct-2022 | diuron_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1454.19669241; Eh | |||
 | 10-Oct-2022 | fluometuron_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -872.11010418; Eh | |||
 | 10-Oct-2022 | fluometuron_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -872.10321922; Eh | |||
 | 10-Oct-2022 | isoproturon_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -652.94280694; Eh |
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