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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_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22546852; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23209306; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23285101; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19852741; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19858230; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19863253; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF178_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22618258; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF132_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22531161; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22599371; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23222849; Eh |
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