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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_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23271743; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23264190; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23186314; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF208_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.23170658; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19768929; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19807629; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19872966; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19807070; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19460922; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92058706; Eh |
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