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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_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22721973; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF147_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22706846; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22725173; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23160425; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23277165; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23204696; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23110357; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF162_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19830622; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF152_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22595004; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23230622; Eh |
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