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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Dec-2022 | spiroxamine_CONF139_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.29406797; Eh | |||
 | 17-Jan-2023 | prosulfocarb_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1074.41209877; Eh | |||
 | 17-Jan-2023 | prosulfocarb_CONF202_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1074.41175436; Eh | |||
 | 15-Dec-2022 | spiroxamine_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.29516818; Eh | |||
 | 25-May-2023 | indaziflam_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -995.53362191; Eh | |||
 | 25-May-2023 | indaziflam_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -995.53368864; Eh | |||
 | 15-Dec-2022 | spiroxamine_CONF140_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.29402072; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF239_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85184592; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF235_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85230317; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF248_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85131060; Eh |
Results 51021-51030 of 78833 (Search time: 0.038 seconds).