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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | flutianil_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08281900; Eh | |||
 | 24-Feb-2023 | flutianil_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08088018; Eh | |||
 | 24-Feb-2023 | flutianil_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08268327; Eh | |||
 | 24-Feb-2023 | flutianil_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08074258; Eh | |||
 | 24-Feb-2023 | flutianil_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08238485; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF135_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.96994886; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.96950773; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF140_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.96912252; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF138_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97058845; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97010888; Eh |
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- 1904 Orca