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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-May-2023 | isoxaben_CONF189_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85341983; Eh | |||
 | 25-May-2023 | isoxaben_CONF189_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84659156; Eh | |||
 | 25-May-2023 | isoxaben_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.82673955; Eh | |||
 | 25-May-2023 | isoxaben_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85009553; Eh | |||
 | 25-May-2023 | isoxaben_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84446405; Eh | |||
 | 25-May-2023 | isoxaben_CONF190_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83062398; Eh | |||
 | 25-May-2023 | isoxaben_CONF190_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85406155; Eh | |||
 | 25-May-2023 | isoxaben_CONF190_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84709058; Eh | |||
 | 25-May-2023 | isoxaben_CONF191_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83021634; Eh | |||
 | 25-May-2023 | isoxaben_CONF191_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85327309; Eh | |||
 | 25-May-2023 | isoxaben_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84639188; Eh | |||
 | 25-May-2023 | isoxaben_CONF192_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83077679; Eh | |||
 | 25-May-2023 | isoxaben_CONF193_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84867689; Eh | |||
 | 25-May-2023 | isoxaben_CONF193_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84304039; Eh | |||
 | 25-May-2023 | isoxaben_CONF194_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83046286; Eh | |||
 | 25-May-2023 | isoxaben_CONF194_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85303528; Eh | |||
 | 25-May-2023 | isoxaben_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84663206; Eh | |||
 | 25-May-2023 | isoxaben_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84324107; Eh | |||
 | 25-May-2023 | isoxaben_CONF196_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83063265; Eh | |||
 | 25-May-2023 | isoxaben_CONF196_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85405954; Eh |