Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | picarbutrazox_E_CONF409_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99636429; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF429_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99801968; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99776359; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF431_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99819764; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF455_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99676660; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF451_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99648005; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF456_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99791413; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF457_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99811174; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF459_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99817576; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99803894; Eh |
Results 1781-1790 of 1915 (Search time: 0.001 seconds).
Discover
Calculation type