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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | metrafenone_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.06770196; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.04533776; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.04544490; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.04754402; Eh | |||
 | 9-Feb-2023 | phenamacril_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -724.53986561; Eh | |||
 | 9-Feb-2023 | phenamacril_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -724.54100395; Eh | |||
 | 9-Feb-2023 | phenamacril_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -724.54123279; Eh | |||
 | 9-Feb-2023 | phenamacril_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -724.52378868; Eh | |||
 | 9-Feb-2023 | fluopimomide_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.66803030; Eh | |||
 | 9-Feb-2023 | fluopimomide_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.66964056; Eh |
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- 1417 Single point