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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | saflufenacil_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23101598; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22692656; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF143_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22698413; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23207922; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23249028; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23259732; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23198833; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23224315; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23164691; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23119200; Eh |
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