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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Sep-2023 | Carbosulfan_CONF432_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92442225; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF432_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91045611; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF433_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92279338; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF434_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89981147; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF434_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92492315; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF434_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91103084; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF436_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89973444; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF436_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92481094; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF436_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91126361; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF437_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89970222; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF437_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92485398; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF439_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89970104; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF439_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92415741; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90035783; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92398010; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF446_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89849449; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF446_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92310077; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90089363; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92554203; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91120401; Eh |