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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 23-Mar-2025 | cyflufenamid_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67081400; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66964286; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67029068; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67022315; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67061511; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66948629; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66953622; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65963881; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF111_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65812325; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF118_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66002472; Eh |
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