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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | picarbutrazox_E_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99100470; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF252_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99405340; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF250_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99399707; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF251_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99355280; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF254_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99313054; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF248_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99391164; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99776934; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF272_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99724083; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF271_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99772333; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF257_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99381649; Eh |
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