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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_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99251797; Eh | |||
 | 17-Jan-2023 | vernolate_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98274483; Eh | |||
 | 17-Jan-2023 | vernolate_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97748101; Eh | |||
 | 17-Jan-2023 | vernolate_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99241988; Eh | |||
 | 17-Jan-2023 | vernolate_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98283383; Eh | |||
 | 17-Jan-2023 | vernolate_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97923804; Eh | |||
 | 17-Jan-2023 | vernolate_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99438468; Eh | |||
 | 17-Jan-2023 | vernolate_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98467937; Eh | |||
 | 17-Jan-2023 | vernolate_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97849935; Eh | |||
 | 17-Jan-2023 | vernolate_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99331516; Eh | |||
 | 17-Jan-2023 | vernolate_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98406966; Eh | |||
 | 17-Jan-2023 | vernolate_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97699496; Eh | |||
 | 17-Jan-2023 | vernolate_CONF117_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99209202; Eh | |||
 | 17-Jan-2023 | vernolate_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98256145; Eh | |||
 | 17-Jan-2023 | vernolate_CONF118_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97700903; Eh | |||
 | 17-Jan-2023 | vernolate_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | - | |||
 | 17-Jan-2023 | vernolate_CONF118_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98252687; Eh | |||
 | 17-Jan-2023 | vernolate_CONF119_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.97923320; Eh | |||
 | 17-Jan-2023 | vernolate_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99438126; Eh | |||
 | 17-Jan-2023 | vernolate_CONF119_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.98467569; Eh |