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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | pyridate_CONF173_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32146374; Eh | |||
 | 8-May-2023 | pyridate_CONF1765_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33228071; Eh | |||
 | 8-May-2023 | pyridate_CONF176_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30886886; Eh | |||
 | 8-May-2023 | pyridate_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33201250; Eh | |||
 | 8-May-2023 | pyridate_CONF176_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32169978; Eh | |||
 | 8-May-2023 | pyridate_CONF177_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.31006915; Eh | |||
 | 8-May-2023 | pyridate_CONF177_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33422370; Eh | |||
 | 8-May-2023 | pyridate_CONF177_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32329852; Eh | |||
 | 8-May-2023 | pyridate_CONF179_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30979130; Eh | |||
 | 8-May-2023 | pyridate_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33322703; Eh | |||
 | 8-May-2023 | pyridate_CONF179_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32279557; Eh | |||
 | 8-May-2023 | pyridate_CONF180_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30744082; Eh | |||
 | 8-May-2023 | pyridate_CONF180_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32995068; Eh | |||
 | 8-May-2023 | pyridate_CONF181_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30991036; Eh | |||
 | 8-May-2023 | pyridate_CONF181_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33426263; Eh | |||
 | 8-May-2023 | pyridate_CONF181_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32348597; Eh | |||
 | 8-May-2023 | pyridate_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30895483; Eh | |||
 | 8-May-2023 | pyridate_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33251597; Eh | |||
 | 8-May-2023 | pyridate_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32223452; Eh | |||
 | 8-May-2023 | pyridate_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30961461; Eh |