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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2025 | flamprop-m_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1458.15223244; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55659660; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55650456; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55443884; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55444286; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55424578; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55524861; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55435411; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55443955; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.55430610; Eh |
Results 421-430 of 990 (Search time: 0.0 seconds).
Discover
Calculation type