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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_CONF461_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99804820; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99598386; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF460_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99819675; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF519_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99697901; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF472_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99736023; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF473_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99803504; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF475_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99804068; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF476_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99761706; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF482_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99662773; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF515_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99660600; Eh |
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