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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 23-Mar-2025 | flusulfamide_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2528.21312457; Eh | ||||
| 23-Mar-2025 | flusulfamide_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2528.21197802; Eh | ||||
| 23-Mar-2025 | flusulfamide_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2528.21332075; Eh | ||||
| 23-Mar-2025 | flusulfamide_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2528.21308035; Eh | ||||
| 23-Mar-2025 | flusulfamide_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2528.21323805; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF322_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65946738; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65796431; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66078611; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF348_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66092823; Eh | ||||
| 23-Mar-2025 | cyflufenamid_CONF351_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.66101360; Eh |
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