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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | phenamacril_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -724.54528758; Eh | |||
 | 9-Feb-2023 | fluopimomide_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.66895647; Eh | |||
 | 9-Feb-2023 | fluopimomide_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.66634851; Eh | |||
 | 9-Feb-2023 | fluopimomide_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.67090265; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.11297100; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.11472763; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09345934; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.06788985; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.06786803; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.06799096; Eh |
Results 11-20 of 1417 (Search time: 0.001 seconds).