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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | dodine_CONF1189_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -677.22992745; Eh | |||
 | 23-Mar-2025 | dodine_CONF1174_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -677.22924331; Eh | |||
 | 23-Mar-2025 | dodine_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -677.23010733; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF289_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64710479; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF292_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64499014; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF295_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64721199; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF301_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64538871; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF284_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64703998; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF286_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64767772; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1531.64711521; Eh |
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