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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | pyriofenone_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09650301; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09667607; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09532578; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09436485; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09370095; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09399555; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.05794332; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.04440498; Eh | |||
 | 9-Feb-2023 | metrafenone_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3687.04548213; Eh | |||
 | 9-Feb-2023 | fluopimomide_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.66752805; Eh |
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