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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_CONF260_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33130240; Eh | |||
 | 8-May-2023 | pyridate_CONF260_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32147574; Eh | |||
 | 8-May-2023 | pyridate_CONF261_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30706197; Eh | |||
 | 8-May-2023 | pyridate_CONF261_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33089719; Eh | |||
 | 8-May-2023 | pyridate_CONF261_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32066154; Eh | |||
 | 8-May-2023 | pyridate_CONF262_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30864814; Eh | |||
 | 8-May-2023 | pyridate_CONF262_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33238158; Eh | |||
 | 8-May-2023 | pyridate_CONF262_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32218569; Eh | |||
 | 8-May-2023 | pyridate_CONF263_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30704588; Eh | |||
 | 8-May-2023 | pyridate_CONF263_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33070873; Eh | |||
 | 8-May-2023 | pyridate_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32098397; Eh | |||
 | 8-May-2023 | pyridate_CONF264_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30865306; Eh | |||
 | 8-May-2023 | pyridate_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33279890; Eh | |||
 | 8-May-2023 | pyridate_CONF264_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32222347; Eh | |||
 | 8-May-2023 | pyridate_CONF266_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30950886; Eh | |||
 | 8-May-2023 | pyridate_CONF266_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33312326; Eh | |||
 | 8-May-2023 | pyridate_CONF266_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32240396; Eh | |||
 | 8-May-2023 | pyridate_CONF268_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.30883657; Eh | |||
 | 8-May-2023 | pyridate_CONF268_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33288359; Eh | |||
 | 8-May-2023 | pyridate_CONF268_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32241176; Eh |