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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_Z_CONF259_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99462355; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF249_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99509813; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF272_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99696679; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF273_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99649369; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF282_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99677303; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF284_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99716056; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF276_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99702303; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF268_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99701149; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF266_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99627847; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF267_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99734236; Eh |
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