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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | butafenacil_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78362129; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF602_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78463399; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF597_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78498020; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF522_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78440035; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF441_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78430994; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF439_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78408076; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF382_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78456632; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78367964; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF620_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78478745; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF573_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78471160; Eh |
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