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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_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33311560; Eh | |||
 | 8-May-2023 | pyridate_CONF153_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32240055; Eh | |||
 | 8-May-2023 | pyridate_CONF154_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33275383; Eh | |||
 | 8-May-2023 | pyridate_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32200768; Eh | |||
 | 8-May-2023 | pyridate_CONF1577_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33181334; Eh | |||
 | 8-May-2023 | pyridate_CONF158_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30673409; Eh | |||
 | 8-May-2023 | pyridate_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33038758; Eh | |||
 | 8-May-2023 | pyridate_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32026449; Eh | |||
 | 8-May-2023 | pyridate_CONF159_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30868898; Eh | |||
 | 8-May-2023 | pyridate_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33228215; Eh | |||
 | 8-May-2023 | pyridate_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32208479; Eh | |||
 | 8-May-2023 | pyridate_CONF160_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30858002; Eh | |||
 | 8-May-2023 | pyridate_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33247802; Eh | |||
 | 8-May-2023 | pyridate_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32222287; Eh | |||
 | 8-May-2023 | pyridate_CONF1618_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33291570; Eh | |||
 | 8-May-2023 | pyridate_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30780027; Eh | |||
 | 8-May-2023 | pyridate_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33145302; Eh | |||
 | 8-May-2023 | pyridate_CONF161_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32096330; Eh | |||
 | 8-May-2023 | pyridate_CONF163_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30844812; Eh | |||
 | 8-May-2023 | pyridate_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33185070; Eh |