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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | cafenstrole_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94267341; Eh | |||
 | 22-Sep-2023 | Phorate_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54646482; Eh | |||
 | 15-Dec-2022 | piperalin_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07645282; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF274_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54686749; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1082_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51095971; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF405_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42372085; Eh | |||
 | 15-Dec-2022 | piperalin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07336737; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF292_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54578640; Eh | |||
 | 17-Jan-2023 | eptc_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67414203; Eh | |||
 | 7-Oct-2022 | amisulbrom_CONF29_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4548.37989506; Eh |
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