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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_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67047243; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67063068; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67108023; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66936036; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66952533; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66955040; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65939463; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67028844; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65928723; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65941039; Eh |
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