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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Sep-2023 | Ethiprole_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28708633; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28713745; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28713758; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28683219; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28655678; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28577290; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28720251; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28024738; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28701951; Eh | |||
 | 25-Sep-2023 | Ethiprole_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -2413.28054622; Eh |
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