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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2023 | vernolate_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99415742; Eh | |||
 | 17-Jan-2023 | vernolate_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98437617; Eh | |||
 | 17-Jan-2023 | vernolate_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97760339; Eh | |||
 | 17-Jan-2023 | vernolate_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99253667; Eh | |||
 | 17-Jan-2023 | vernolate_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98296385; Eh | |||
 | 17-Jan-2023 | vernolate_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97760397; Eh | |||
 | 17-Jan-2023 | vernolate_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99256008; Eh | |||
 | 17-Jan-2023 | vernolate_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98297749; Eh | |||
 | 17-Jan-2023 | vernolate_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97823067; Eh | |||
 | 17-Jan-2023 | vernolate_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99316362; Eh | |||
 | 17-Jan-2023 | vernolate_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98409610; Eh | |||
 | 17-Jan-2023 | vernolate_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97704422; Eh | |||
 | 17-Jan-2023 | vernolate_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99181453; Eh | |||
 | 17-Jan-2023 | vernolate_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98210979; Eh | |||
 | 17-Jan-2023 | vernolate_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97705494; Eh | |||
 | 17-Jan-2023 | vernolate_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99179705; Eh | |||
 | 17-Jan-2023 | vernolate_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98208188; Eh | |||
 | 17-Jan-2023 | vernolate_CONF89_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99311020; Eh | |||
 | 17-Jan-2023 | vernolate_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98407315; Eh | |||
 | 17-Jan-2023 | vernolate_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97939902; Eh |