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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_CONF95_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80433634; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80666547; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF844_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80633535; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.47499747; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.47491690; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.47606372; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.48576756; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.48544600; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.48592465; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.48615520; Eh |
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