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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_CONF173_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67013846; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67050445; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF181_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67115331; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67106017; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67004932; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF174_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67062949; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67222892; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF228_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67185034; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF233_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67205412; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF222_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.67139622; Eh |
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