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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | bentazon_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1121.74792412; Eh | |||
 | 8-May-2023 | bentazon_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1121.76720868; Eh | |||
 | 8-May-2023 | bentazon_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1121.76585569; Eh | |||
 | 8-May-2023 | bentazon_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1121.76600153; Eh | |||
 | 8-May-2023 | bromoxynil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -5546.96998322; Eh | |||
 | 8-May-2023 | bromoxynil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -5546.98309792; Eh | |||
 | 8-May-2023 | bromoxynil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -5546.97714470; Eh | |||
 | 8-May-2023 | ioxynil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -994.10192408; Eh |
Results 941-948 of 948 (Search time: 0.002 seconds).