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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_CONF229_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67176436; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF230_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67210758; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF236_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67222062; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67112072; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF226_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67168556; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF227_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67132303; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF278_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67235181; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF274_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66928484; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF299_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67163653; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF273_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67057414; Eh |
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