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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_CONF477_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90852732; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF479_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89996375; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF479_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92470209; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF479_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91019157; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92522035; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91091811; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF480_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89967653; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF480_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90944855; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF481_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92441962; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF481_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91115645; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF482_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89967481; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF482_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92481041; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF482_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90914146; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF483_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90104307; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF483_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92663222; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF483_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91300114; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF484_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89969664; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF484_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.91090830; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF485_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89988454; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF485_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.92470079; Eh |