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_CONF432_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96986345; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF436_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96908868; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF437_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96995555; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF440_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96975433; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF443_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96994188; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF441_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96929230; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97220896; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97118870; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF429_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97180861; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF435_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96999862; Eh |
Results 1-10 of 1915 (Search time: 0.001 seconds).
Discover
Calculation type