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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | tebuthiuron_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1045.09724339; Eh | |||
 | 10-Oct-2022 | tebuthiuron_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1045.10231024; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF46_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.90542154; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.91021472; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF54_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88819017; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88804277; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF24_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88856689; Eh | |||
 | 10-Oct-2022 | monuron_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -994.58850719; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88850391; Eh | |||
 | 10-Oct-2022 | metribuzin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1005.74400288; Eh |
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