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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_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23055029; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19904042; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19820561; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19872663; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19756167; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF134_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19828735; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19776386; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19841078; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19898500; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22634208; Eh |
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