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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_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80671222; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF291_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80677239; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF287_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80572796; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF208_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80400302; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF214_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80601098; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80605382; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80541377; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80691832; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80583207; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF103_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80528734; Eh |
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