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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2025 | pyributicarb_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41493344; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41619764; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41669781; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40485128; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40479919; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF111_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40475664; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40483330; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40454785; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40521923; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40417362; Eh |
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