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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | flutianil_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.08276822; Eh | |||
 | 23-Mar-2025 | flutianil_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.08257598; Eh | |||
 | 23-Mar-2025 | flutianil_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.08281900; Eh | |||
 | 23-Mar-2025 | flutianil_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.08074258; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97114787; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF137_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97049702; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF126_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96971212; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF138_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97058845; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF147_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97029291; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF143_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97071281; Eh |
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